CAS 356068-86-5|N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide|N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide|N-[2-(Diethylamino)ethyl]-2,4-dimeth...

General Information

Structure

Molecular Formula

C₁₄H₂₃N₃O₂

Molecular Mass

265.35132

Exact Mass

265.17902699

Charge

InChI

InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)

InChIKey

BRZYBFNUINXZMJ-UHFFFAOYSA-N

Canonic Smiles

CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=O)CC

Isomeric Smiles

[nH]1c(c(c(c1C=O)C)C(=O)NCCN(CC)CC)C

Calculated Properties

JChem

Acid pKa

11.655143

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5533196

LogD (pH = 7.4)

0.21528961

Log P

1.2051929

Molar Refractivity

78.9606

Polarizability

28.880096

Polar Surface Area

65.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

IUPAC Traditional name

N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

Synonyms

N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-formyl-1H-pyrrole-3-carboxamide4-{[2-(Diethylamino)ethyl]carbamoyl}-2,4-dimethyl-1H-pyrrole-2-carboxaldehyde3-{[2-(Diethylamino)ethyl]carbamoyl}-2,4-dimethyl-5-formyl-1H-pyrroleN-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Registration numbers

Properties