2-(4-acetylanilino)pyridine-3-carboxylic acid

C14H12N2O3 — CID 14222049

IUPAC2-(4-acetylanilino)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C14H12N2O3/c1-9(17)10-4-6-11(7-5-10)16-13-12(14(18)19)3-2-8-15-13/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyQNLLMLHNMMPEDQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-acetylanilino)pyridine-3-carboxylic acid

2-(4-acetylanilino)pyridine-3-carboxylic acid (PubChem CID 14222049) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4-acetylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylanilino)pyridine-3-carboxylic acid
PubChem CID14222049
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(4-acetylanilino)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C14H12N2O3/c1-9(17)10-4-6-11(7-5-10)16-13-12(14(18)19)3-2-8-15-13/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyQNLLMLHNMMPEDQ-UHFFFAOYSA-N
XLogP2.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
1-[4-[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 25361326
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carboxylic acid
CID 166442642
methyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]anilino]pyridine-3-carboxylate
CID 155133955
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-acetylanilino)pyridine-3-carboxylic acid (CID 14222049) is 2-(4-acetylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-acetylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-acetylanilino)pyridine-3-carboxylic acid is CC(=O)c1ccc(Nc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-acetylanilino)pyridine-3-carboxylic acid?
The InChIKey is QNLLMLHNMMPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9(17)10-4-6-11(7-5-10)16-13-12(14(18)19)3-2-8-15-13/h2-8H,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-(4-acetylanilino)pyridine-3-carboxylic acid?
2-(4-acetylanilino)pyridine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 14222049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).