2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid

C14H12ClN3O3 — CID 114326185

IUPAC2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
SMILESNCc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)O)ccn1
InChIInChI=1S/C14H12ClN3O3/c15-9-1-2-11(14(20)21)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19)(H,20,21)
InChIKeyIJHCAQANCCVHHZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.14
Rot. Bonds4

About 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid

2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid (PubChem CID 114326185) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
PubChem CID114326185
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
SMILESNCc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)O)ccn1
InChIInChI=1S/C14H12ClN3O3/c15-9-1-2-11(14(20)21)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19)(H,20,21)
InChIKeyIJHCAQANCCVHHZ-UHFFFAOYSA-N
XLogP2.14
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 10494761

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid (CID 114326185) is 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid is NCc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid?
The InChIKey is IJHCAQANCCVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-9-1-2-11(14(20)21)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,7,16H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid?
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid is sourced from PubChem (CID 114326185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).