N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide

C13H16F2N2O — CID 105381268

IUPACN-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C1CCCC1
InChIInChI=1S/C13H16F2N2O/c1-8(9-4-2-3-5-9)17-13(18)10-6-7-16-12(15)11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyHNVLUERHSAQAPT-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.67
Rot. Bonds3

About N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide

N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381268) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381268
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C1CCCC1
InChIInChI=1S/C13H16F2N2O/c1-8(9-4-2-3-5-9)17-13(18)10-6-7-16-12(15)11(10)14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyHNVLUERHSAQAPT-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide (CID 105381268) is N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1F)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is HNVLUERHSAQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(9-4-2-3-5-9)17-13(18)10-6-7-16-12(15)11(10)14/h6-9H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide?
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).