2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide

C15H18F5N3O — CID 169123805

IUPAC2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)c(C)c1C(F)(F)F
InChIInChI=1S/C15H18F5N3O/c1-8-10(12(21)24)13(22-9(2)11(8)15(18,19)20)23-6-3-4-14(16,17)5-7-23/h3-7H2,1-2H3,(H2,21,24)
InChIKeyMAGZNIIRORPDKL-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.44
Rot. Bonds2

About 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 169123805) has the molecular formula C15H18F5N3O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID169123805
Molecular FormulaC15H18F5N3O
Molecular Weight351.32 g/mol
Exact Mass351.14
IUPAC Name2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)c(C)c1C(F)(F)F
InChIInChI=1S/C15H18F5N3O/c1-8-10(12(21)24)13(22-9(2)11(8)15(18,19)20)23-6-3-4-14(16,17)5-7-23/h3-7H2,1-2H3,(H2,21,24)
InChIKeyMAGZNIIRORPDKL-UHFFFAOYSA-N
XLogP3.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 169124374
2-(4,4-difluoroazepan-1-yl)-5-(fluoromethyl)-4-methylpyridine-3-carboxamide
CID 176694729
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962
5-bromo-6-(1,1-difluoroethyl)-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
CID 170207575
[[2-(4,4-difluoroazepan-1-yl)-4-methyl-5-(trifluoromethyl)pyridine-3-carbonyl]amino] carbamate
CID 169123878
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
ethyl 2-[2-(4,4-difluoroazepan-1-yl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6-dimethyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250604
2-(6-azaspiro[2.5]octan-6-yl)-4,6-dimethyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176693926
methyl 2-(4,4-difluoroazepan-1-yl)-4,5-dimethylpyridine-3-carboxylate
CID 169124268
6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide
CID 169124576
benzyl 2-(4,4-difluoroazepan-1-yl)-4-methylquinoline-3-carboxylate
CID 169264201
2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124791

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 169123805) is 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)c(C)c1C(F)(F)F.
What is the InChIKey of 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MAGZNIIRORPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5N3O/c1-8-10(12(21)24)13(22-9(2)11(8)15(18,19)20)23-6-3-4-14(16,17)5-7-23/h3-7H2,1-2H3,(H2,21,24).
What are the key properties of 2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.44, 2 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)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 169123805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).