2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C13H14F5N3O — CID 153490298

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(N)=O)CCC1(F)F
InChIInChI=1S/C13H14F5N3O/c1-7-6-21(3-2-12(7,14)15)11-9(10(19)22)4-8(5-20-11)13(16,17)18/h4-5,7H,2-3,6H2,1H3,(H2,19,22)
InChIKeyJBHQLYCHPROMDL-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.68
Rot. Bonds2

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 153490298) has the molecular formula C13H14F5N3O and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID153490298
Molecular FormulaC13H14F5N3O
Molecular Weight323.27 g/mol
Exact Mass323.11
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(N)=O)CCC1(F)F
InChIInChI=1S/C13H14F5N3O/c1-7-6-21(3-2-12(7,14)15)11-9(10(19)22)4-8(5-20-11)13(16,17)18/h4-5,7H,2-3,6H2,1H3,(H2,19,22)
InChIKeyJBHQLYCHPROMDL-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525794
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165489330
2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525696
N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 71852720
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 55215791
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 153490298) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2ncc(C(F)(F)F)cc2C(N)=O)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JBHQLYCHPROMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N3O/c1-7-6-21(3-2-12(7,14)15)11-9(10(19)22)4-8(5-20-11)13(16,17)18/h4-5,7H,2-3,6H2,1H3,(H2,19,22).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 153490298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).