2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate

C14H11N2O3- — CID 22307390

IUPAC2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate
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)/p-1
InChIKeyAXQASNAQSRLOGN-UHFFFAOYSA-M
MW255.25 g/mol
LogP0.63
Rot. Bonds4

About 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate

2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate (PubChem CID 22307390) has the molecular formula C14H11N2O3- and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate
PubChem CID22307390
Molecular FormulaC14H11N2O3-
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate
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)/p-1
InChIKeyAXQASNAQSRLOGN-UHFFFAOYSA-M
XLogP0.63
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
CID 22307391
2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
CID 71428500
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4249570
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
potassium 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 72703544
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854
N'-hydroxy-N-phenylpropanediamide
CID 20721653
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate?
The IUPAC name of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate (CID 22307390) is 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate is O=C(Cc1ncccc1C(=O)[O-])Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate?
The InChIKey is AXQASNAQSRLOGN-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate?
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate has a molecular weight of 255.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate is sourced from PubChem (CID 22307390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).