5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide

C12H15ClN2O2 — CID 110848953

IUPAC5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C12H15ClN2O2/c13-8-6-10(11(16)14-7-8)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17)
InChIKeyXRTDPIIJFXEKMA-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.09
Rot. Bonds2

About 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110848953) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110848953
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C12H15ClN2O2/c13-8-6-10(11(16)14-7-8)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17)
InChIKeyXRTDPIIJFXEKMA-UHFFFAOYSA-N
XLogP2.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-N-cycloheptyl-2-fluorobenzamide
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5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
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4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
5-chloro-N-cyclohexyl-2-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 167055905
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide (CID 110848953) is 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XRTDPIIJFXEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-6-10(11(16)14-7-8)12(17)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17).
What are the key properties of 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110848953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).