2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide

C14H18F3N3O — CID 176694729

IUPAC2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide
SMILESCc1c(CF)cnc(N2CCCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-9-10(7-15)8-19-13(11(9)12(18)21)20-5-2-3-14(16,17)4-6-20/h8H,2-7H2,1H3,(H2,18,21)
InChIKeyNUTJBICOUAECSZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide

2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide (PubChem CID 176694729) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide
PubChem CID176694729
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide
SMILESCc1c(CF)cnc(N2CCCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-9-10(7-15)8-19-13(11(9)12(18)21)20-5-2-3-14(16,17)4-6-20/h8H,2-7H2,1H3,(H2,18,21)
InChIKeyNUTJBICOUAECSZ-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide (CID 176694729) is 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide is Cc1c(CF)cnc(N2CCCC(F)(F)CC2)c1C(N)=O.
What is the InChIKey of 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide?
The InChIKey is NUTJBICOUAECSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-10(7-15)8-19-13(11(9)12(18)21)20-5-2-3-14(16,17)4-6-20/h8H,2-7H2,1H3,(H2,18,21).
What are the key properties of 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide?
2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 176694729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).