4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid

C14H13N3O4 — CID 107208966

IUPAC4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(Nc2ncccc2C(N)=O)ccc1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-21-11-7-8(4-5-9(11)14(19)20)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyNOCJHPCASBGDRU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.63
Rot. Bonds5

About 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid

4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid (PubChem CID 107208966) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
PubChem CID107208966
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(Nc2ncccc2C(N)=O)ccc1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-21-11-7-8(4-5-9(11)14(19)20)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyNOCJHPCASBGDRU-UHFFFAOYSA-N
XLogP1.63
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic 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-(4-bromo-3-methoxyanilino)pyridine-3-carbothioamide
CID 82867163
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-(pyrimidin-4-ylamino)benzoic acid
CID 107208955
2-methoxy-4-[(5-methylpyrimidin-2-yl)amino]benzoic acid
CID 107208994
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid (CID 107208966) is 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid is COc1cc(Nc2ncccc2C(N)=O)ccc1C(=O)O.
What is the InChIKey of 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid?
The InChIKey is NOCJHPCASBGDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-11-7-8(4-5-9(11)14(19)20)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid?
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).