N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O2 — CID 25443183

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-4-6-11(15)7-5-10)17-14(19)12-3-2-8-16-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyPANBEBPAYIPRGV-SECBINFHSA-N
MW276.72 g/mol
LogP2.52
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 25443183) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID25443183
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-4-6-11(15)7-5-10)17-14(19)12-3-2-8-16-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyPANBEBPAYIPRGV-SECBINFHSA-N
XLogP2.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
N-but-3-yn-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 114418972
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 25443183) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PANBEBPAYIPRGV-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(10-4-6-11(15)7-5-10)17-14(19)12-3-2-8-16-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25443183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).