2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide

C12H14F2N2O — CID 105381019

IUPAC2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccnc(F)c2F)CCCC1
InChIInChI=1S/C12H14F2N2O/c1-12(5-2-3-6-12)16-11(17)8-4-7-15-10(14)9(8)13/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyROACJSBCZLUJTC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.42
Rot. Bonds2

About 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide

2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide (PubChem CID 105381019) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
PubChem CID105381019
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccnc(F)c2F)CCCC1
InChIInChI=1S/C12H14F2N2O/c1-12(5-2-3-6-12)16-11(17)8-4-7-15-10(14)9(8)13/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyROACJSBCZLUJTC-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.42
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

3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 105381317
3-[(2,3-difluoropyridine-4-carbonyl)amino]thiolane-3-carboxylic acid
CID 114036622
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide (CID 105381019) is 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide is CC1(NC(=O)c2ccnc(F)c2F)CCCC1.
What is the InChIKey of 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide?
The InChIKey is ROACJSBCZLUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-12(5-2-3-6-12)16-11(17)8-4-7-15-10(14)9(8)13/h4,7H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide?
2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.42, 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-(1-methylcyclopentyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).