6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid

C15H13N3O5 — CID 167976818

IUPAC6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C15H13N3O5/c1-23-11-5-2-9(3-6-11)13(19)17-18-14(20)12-7-4-10(8-16-12)15(21)22/h2-8H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyYZIYWSBOYCTRJL-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.86
Rot. Bonds4

About 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid

6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 167976818) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
PubChem CID167976818
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C15H13N3O5/c1-23-11-5-2-9(3-6-11)13(19)17-18-14(20)12-7-4-10(8-16-12)15(21)22/h2-8H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyYZIYWSBOYCTRJL-UHFFFAOYSA-N
XLogP0.86
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic 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-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
pyridine-2,5-dicarboxylic acid
CID 158970171
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
6-acetylpyridine-3-carboxylic acid
CID 22323784

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid (CID 167976818) is 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid is COc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YZIYWSBOYCTRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-11-5-2-9(3-6-11)13(19)17-18-14(20)12-7-4-10(8-16-12)15(21)22/h2-8H,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid?
6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 315.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167976818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).