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

C14H13ClN2O2 — CID 103336877

IUPACN-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]ccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-16-6-5-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyUWULPMAFTGXMCL-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336877) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336877
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]ccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-16-6-5-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyUWULPMAFTGXMCL-UHFFFAOYSA-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

5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103336877) is N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1c[nH]ccc1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UWULPMAFTGXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-16-6-5-13(12)18/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-4-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-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).