6-(4-acetamidoanilino)pyridine-2-carboxylic acid

C14H13N3O3 — CID 62255530

IUPAC6-(4-acetamidoanilino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(Nc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O3/c1-9(18)15-10-5-7-11(8-6-10)16-13-4-2-3-12(17-13)14(19)20/h2-8H,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCYHMXMLXOMXZHQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.48
Rot. Bonds4

About 6-(4-acetamidoanilino)pyridine-2-carboxylic acid

6-(4-acetamidoanilino)pyridine-2-carboxylic acid (PubChem CID 62255530) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-acetamidoanilino)pyridine-2-carboxylic acid
PubChem CID62255530
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-(4-acetamidoanilino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(Nc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O3/c1-9(18)15-10-5-7-11(8-6-10)16-13-4-2-3-12(17-13)14(19)20/h2-8H,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCYHMXMLXOMXZHQ-UHFFFAOYSA-N
XLogP2.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-[4-[4-(2-propan-2-ylphenyl)anilino]anilino]pyridine-2-carboxylic acid
CID 155133729
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
CID 63642903
6-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]pyridine-2-carboxylic acid
CID 155134030
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
4-(4-acetamidoanilino)benzoic acid
CID 11425691

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-acetamidoanilino)pyridine-2-carboxylic acid (CID 62255530) is 6-(4-acetamidoanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-acetamidoanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-acetamidoanilino)pyridine-2-carboxylic acid is CC(=O)Nc1ccc(Nc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)pyridine-2-carboxylic acid?
The InChIKey is CYHMXMLXOMXZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(18)15-10-5-7-11(8-6-10)16-13-4-2-3-12(17-13)14(19)20/h2-8H,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 6-(4-acetamidoanilino)pyridine-2-carboxylic acid?
6-(4-acetamidoanilino)pyridine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62255530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).