N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide

C14H12N2O3 — CID 5224143

IUPACN-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O3/c17-12(10-6-2-1-3-7-10)14(19)16-13(18)11-8-4-5-9-15-11/h1-9,14,19H,(H,16,18)
InChIKeyCXDQFFCWSUSNNZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.01
Rot. Bonds4

About N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide

N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide (PubChem CID 5224143) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide
PubChem CID5224143
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O3/c17-12(10-6-2-1-3-7-10)14(19)16-13(18)11-8-4-5-9-15-11/h1-9,14,19H,(H,16,18)
InChIKeyCXDQFFCWSUSNNZ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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N-{2-[(4-fluorobenzoyl)amino]ethyl}-2-pyridinecarboxamide
CID 2986306
N-{2-[(phenylcarbonyl)amino]ethyl}pyridine-2-carboxamide
CID 2986667
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
Pyridine-2-carboxylic acid [2-(2-methyl-benzoylamino)-ethyl]-amide
CID 2988504
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide
CID 11483359
N-((Z)-1-Carbamoyl-2-pyridin-3-yl-vinyl)-benzamide
CID 7367310
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CID 607428
Hydroxyethylamine-based inhibitor 11b
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide (CID 5224143) is N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide is O=C(NC(O)C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is CXDQFFCWSUSNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-12(10-6-2-1-3-7-10)14(19)16-13(18)11-8-4-5-9-15-11/h1-9,14,19H,(H,16,18).
What are the key properties of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide?
N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 5224143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).