Molecule

ID:64576

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c1-5-20-14(18)13-10(8-17(2)3)9-6-12(19-4)15-7-11(9)16-13/h6-7,16H,5,8H2,1-4H3
InChIKey
PLIHMLFFBBBIQQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1CN(C)C)cc(nc2)OC
Isomeric Smiles
c1(c([nH]c2c1cc(nc2)OC)C(=O)OCC)CN(C)C
Calculated Properties
JChem
Acid pKa
9.549856
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0300593
LogD (pH = 7.4)
0.73839056
Log P
1.3661923
Molar Refractivity
76.9584
Polarizability
30.484661
Polar Surface Area
67.45
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
References
Bioactivity
Navigation
CAS 411239-11-7|ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate|ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate|Ethyl 3-((dimethyl... | Molfinder