2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C18H19F3N4O — CID 109312704

IUPAC2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)17-22-9-8-15(24-17)16(26)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,26)
InChIKeyFRNLJFFSNBMCHA-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.98
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109312704) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109312704
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)17-22-9-8-15(24-17)16(26)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,26)
InChIKeyFRNLJFFSNBMCHA-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297596
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109308302
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109312704) is 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CC1CCCN(c2nccc(C(=O)Nc3ccccc3C(F)(F)F)n2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is FRNLJFFSNBMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-5-4-10-25(11-12)17-22-9-8-15(24-17)16(26)23-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,26).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109312704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).