2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid

C14H12N2O3 — CID 22307391

IUPAC2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
SMILESO=C(Cc1ncccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H12N2O3/c17-13(16-10-5-2-1-3-6-10)9-12-11(14(18)19)7-4-8-15-12/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyAXQASNAQSRLOGN-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid

2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid (PubChem CID 22307391) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
PubChem CID22307391
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
SMILESO=C(Cc1ncccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H12N2O3/c17-13(16-10-5-2-1-3-6-10)9-12-11(14(18)19)7-4-8-15-12/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyAXQASNAQSRLOGN-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
CID 71428500
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate
CID 22307390
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147337
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-(3-anilino-3-oxopropoxy)benzoic acid
CID 43310235

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid (CID 22307391) is 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid is O=C(Cc1ncccc1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid?
The InChIKey is AXQASNAQSRLOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13(16-10-5-2-1-3-6-10)9-12-11(14(18)19)7-4-8-15-12/h1-8H,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid?
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 22307391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).