5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid

C14H13N3O4 — CID 115413708

IUPAC5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H13N3O4/c1-21-9-3-4-11(15)10(6-9)13(18)17-8-2-5-12(14(19)20)16-7-8/h2-7H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyJPEZBMPSIFOBBY-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.62
Rot. Bonds4

About 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid

5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 115413708) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID115413708
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H13N3O4/c1-21-9-3-4-11(15)10(6-9)13(18)17-8-2-5-12(14(19)20)16-7-8/h2-7H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyJPEZBMPSIFOBBY-UHFFFAOYSA-N
XLogP1.62
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-methoxy-N-(5-trimethylsilyl-2-pyridinyl)benzamide
CID 89316590
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid (CID 115413708) is 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid is COc1ccc(N)c(C(=O)Nc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is JPEZBMPSIFOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-9-3-4-11(15)10(6-9)13(18)17-8-2-5-12(14(19)20)16-7-8/h2-7H,15H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid?
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115413708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).