5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide

C13H15ClF2N2O — CID 166988492

IUPAC5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C13H15ClF2N2O/c14-8-6-10(11(12(15)16)17-7-8)13(19)18-9-4-2-1-3-5-9/h6-7,9,12H,1-5H2,(H,18,19)
InChIKeyUQUJIMYGGBUYBW-UHFFFAOYSA-N
MW288.72 g/mol
LogP3.74
Rot. Bonds3

About 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide

5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 166988492) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.72 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID166988492
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.72 g/mol
Exact Mass288.08
IUPAC Name5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C13H15ClF2N2O/c14-8-6-10(11(12(15)16)17-7-8)13(19)18-9-4-2-1-3-5-9/h6-7,9,12H,1-5H2,(H,18,19)
InChIKeyUQUJIMYGGBUYBW-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexyl-2-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 167055905
5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232574
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172693
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 170667126
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232479
5-chloro-N-[4-[[3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 163232399
5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 163232432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide (CID 166988492) is 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is UQUJIMYGGBUYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c14-8-6-10(11(12(15)16)17-7-8)13(19)18-9-4-2-1-3-5-9/h6-7,9,12H,1-5H2,(H,18,19).
What are the key properties of 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide?
5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 288.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166988492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).