3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid

C14H13N3O3 — CID 64588943

IUPAC3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid
SMILESNC(=O)c1cccc(NCc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C14H13N3O3/c15-13(18)11-5-2-6-12(17-11)16-8-9-3-1-4-10(7-9)14(19)20/h1-7H,8H2,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyWNJGINSANXONRQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.49
Rot. Bonds5

About 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid

3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid (PubChem CID 64588943) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid
PubChem CID64588943
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid
SMILESNC(=O)c1cccc(NCc2cccc(C(=O)O)c2)n1
InChIInChI=1S/C14H13N3O3/c15-13(18)11-5-2-6-12(17-11)16-8-9-3-1-4-10(7-9)14(19)20/h1-7H,8H2,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyWNJGINSANXONRQ-UHFFFAOYSA-N
XLogP1.49
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic 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

3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
3-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778315
6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
CID 64590181
6-benzamidopyridine-2-carboxamide
CID 69135492
3-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzoic acid
CID 136958545
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302
6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
CID 122053203
3-[[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]benzoic acid
CID 108778309
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid (CID 64588943) is 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid is NC(=O)c1cccc(NCc2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid?
The InChIKey is WNJGINSANXONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-13(18)11-5-2-6-12(17-11)16-8-9-3-1-4-10(7-9)14(19)20/h1-7H,8H2,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid?
3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid is sourced from PubChem (CID 64588943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).