2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide

C14H19F2N3O — CID 105380732

IUPAC2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(2)19-7-4-10(5-8-19)18-14(20)11-3-6-17-13(16)12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyRVLIJBZKIVTVSH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.96
Rot. Bonds3

About 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide

2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 105380732) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID105380732
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-9(2)19-7-4-10(5-8-19)18-14(20)11-3-6-17-13(16)12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyRVLIJBZKIVTVSH-UHFFFAOYSA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380476
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (CID 105380732) is 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is CC(C)N1CCC(NC(=O)c2ccnc(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is RVLIJBZKIVTVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(2)19-7-4-10(5-8-19)18-14(20)11-3-6-17-13(16)12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105380732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).