2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid

C14H13N3O3 — CID 110488447

IUPAC2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cncc(N)c2)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-8-2-3-12(11(4-8)14(19)20)17-13(18)9-5-10(15)7-16-6-9/h2-7H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyVKHNLVQCCRUDSC-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.92
Rot. Bonds3

About 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid

2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid (PubChem CID 110488447) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
PubChem CID110488447
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cncc(N)c2)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-8-2-3-12(11(4-8)14(19)20)17-13(18)9-5-10(15)7-16-6-9/h2-7H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyVKHNLVQCCRUDSC-UHFFFAOYSA-N
XLogP1.92
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
5-amino-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 110488393
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid (CID 110488447) is 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2cncc(N)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid?
The InChIKey is VKHNLVQCCRUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-2-3-12(11(4-8)14(19)20)17-13(18)9-5-10(15)7-16-6-9/h2-7H,15H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid?
2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 110488447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).