3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid

C15H15N3O3 — CID 60893530

IUPAC3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
SMILESCNC(=O)c1cc(NCc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C15H15N3O3/c1-16-14(19)13-8-12(5-6-17-13)18-9-10-3-2-4-11(7-10)15(20)21/h2-8H,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYCIUVDZAWAFJGE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds5

About 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid

3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid (PubChem CID 60893530) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
PubChem CID60893530
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
SMILESCNC(=O)c1cc(NCc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C15H15N3O3/c1-16-14(19)13-8-12(5-6-17-13)18-9-10-3-2-4-11(7-10)15(20)21/h2-8H,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYCIUVDZAWAFJGE-UHFFFAOYSA-N
XLogP1.75
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-(methylcarbamoyl)-4-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

4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
methyl 3-[[4-[(3-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210371
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
CID 55241023
3-[(3,4-dicyanoanilino)methyl]benzoic acid
CID 107791372
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid (CID 60893530) is 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid is CNC(=O)c1cc(NCc2cccc(C(=O)O)c2)ccn1.
What is the InChIKey of 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid?
The InChIKey is YCIUVDZAWAFJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-14(19)13-8-12(5-6-17-13)18-9-10-3-2-4-11(7-10)15(20)21/h2-8H,9H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid?
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid is sourced from PubChem (CID 60893530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).