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

C15H21F2N3O — CID 105380476

IUPAC2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(2)20-8-5-11(6-9-20)19(3)15(21)12-4-7-18-14(17)13(12)16/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyPMOYLLNDXOTSIM-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.30
Rot. Bonds3

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

2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 105380476) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID105380476
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(2)20-8-5-11(6-9-20)19(3)15(21)12-4-7-18-14(17)13(12)16/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyPMOYLLNDXOTSIM-UHFFFAOYSA-N
XLogP2.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 105380355
2-fluoro-N,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 62510083
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385564
2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
CID 106853405
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 61105123
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (CID 105380476) is 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is CC(C)N1CCC(N(C)C(=O)c2ccnc(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is PMOYLLNDXOTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10(2)20-8-5-11(6-9-20)19(3)15(21)12-4-7-18-14(17)13(12)16/h4,7,10-11H,5-6,8-9H2,1-3H3.
What are the key properties of 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105380476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).