2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide

C13H16F2N2O — CID 105380359

IUPAC2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-8-3-2-4-9(7-8)17-13(18)10-5-6-16-12(15)11(10)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)
InChIKeyAGXCVDWHBIEXIM-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.67
Rot. Bonds2

About 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide

2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 105380359) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID105380359
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(NC(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-8-3-2-4-9(7-8)17-13(18)10-5-6-16-12(15)11(10)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)
InChIKeyAGXCVDWHBIEXIM-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide (CID 105380359) is 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCC(NC(=O)c2ccnc(F)c2F)C1.
What is the InChIKey of 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is AGXCVDWHBIEXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-3-2-4-9(7-8)17-13(18)10-5-6-16-12(15)11(10)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).