N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H20F3N3O — CID 120671037

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(C)CCCNC1CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H20F3N3O/c1-14(2)6-3-7-19-12(14)9-21-13(22)10-4-5-11(20-8-10)15(16,17)18/h4-5,8,12,19H,3,6-7,9H2,1-2H3,(H,21,22)
InChIKeyNZPYHWTXLOPPKT-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.61
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 120671037) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID120671037
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(C)CCCNC1CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H20F3N3O/c1-14(2)6-3-7-19-12(14)9-21-13(22)10-4-5-11(20-8-10)15(16,17)18/h4-5,8,12,19H,3,6-7,9H2,1-2H3,(H,21,22)
InChIKeyNZPYHWTXLOPPKT-UHFFFAOYSA-N
XLogP2.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 120671037) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC1(C)CCCNC1CNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NZPYHWTXLOPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-14(2)6-3-7-19-12(14)9-21-13(22)10-4-5-11(20-8-10)15(16,17)18/h4-5,8,12,19H,3,6-7,9H2,1-2H3,(H,21,22).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 120671037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).