N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide

C14H13ClN2O2 — CID 114039911

IUPACN-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(Cl)c1ccccc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H13ClN2O2/c15-12(10-4-2-1-3-5-10)9-17-14(19)11-6-7-16-13(18)8-11/h1-8,12H,9H2,(H,16,18)(H,17,19)
InChIKeyUJNWQEYQYIHDND-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.08
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide

N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114039911) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114039911
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(Cl)c1ccccc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H13ClN2O2/c15-12(10-4-2-1-3-5-10)9-17-14(19)11-6-7-16-13(18)8-11/h1-8,12H,9H2,(H,16,18)(H,17,19)
InChIKeyUJNWQEYQYIHDND-UHFFFAOYSA-N
XLogP2.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042614
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide (CID 114039911) is N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC(Cl)c1ccccc1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is UJNWQEYQYIHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12(10-4-2-1-3-5-10)9-17-14(19)11-6-7-16-13(18)8-11/h1-8,12H,9H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114039911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).