N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide

C13H16F2N2O — CID 105381670

IUPACN-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-13(2)5-3-8(7-13)17-12(18)9-4-6-16-11(15)10(9)14/h4,6,8H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyMTPPWGSUBNSLCR-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.67
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide

N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381670) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381670
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-13(2)5-3-8(7-13)17-12(18)9-4-6-16-11(15)10(9)14/h4,6,8H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyMTPPWGSUBNSLCR-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

2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
CID 105381019
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
CID 114550285
2,3-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 105381165
N-(3,3-dimethylcyclopentyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297633

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide (CID 105381670) is N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide is CC1(C)CCC(NC(=O)c2ccnc(F)c2F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is MTPPWGSUBNSLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-13(2)5-3-8(7-13)17-12(18)9-4-6-16-11(15)10(9)14/h4,6,8H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide?
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-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 N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).