N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H19F3N4O — CID 47090227

IUPACN-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C18H19F3N4O/c1-12-4-2-6-15(22-12)24-17(26)13-8-10-25(11-9-13)16-7-3-5-14(23-16)18(19,20)21/h2-7,13H,8-11H2,1H3,(H,22,24,26)
InChIKeyOKISOKMCYYCNOF-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.66
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 47090227) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID47090227
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C18H19F3N4O/c1-12-4-2-6-15(22-12)24-17(26)13-8-10-25(11-9-13)16-7-3-5-14(23-16)18(19,20)21/h2-7,13H,8-11H2,1H3,(H,22,24,26)
InChIKeyOKISOKMCYYCNOF-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 47090227) is N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OKISOKMCYYCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-4-2-6-15(22-12)24-17(26)13-8-10-25(11-9-13)16-7-3-5-14(23-16)18(19,20)21/h2-7,13H,8-11H2,1H3,(H,22,24,26).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 47090227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).