6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

C14H18F3N3O2 — CID 128985923

IUPAC6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(C(F)(F)F)N(C)C2)c(=O)[nH]1
InChIInChI=1S/C14H18F3N3O2/c1-8-3-5-10(12(21)18-8)13(22)19-9-4-6-11(14(15,16)17)20(2)7-9/h3,5,9,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHVKYMQRTIVVVBU-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.44
Rot. Bonds2

About 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 128985923) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID128985923
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(C(F)(F)F)N(C)C2)c(=O)[nH]1
InChIInChI=1S/C14H18F3N3O2/c1-8-3-5-10(12(21)18-8)13(22)19-9-4-6-11(14(15,16)17)20(2)7-9/h3,5,9,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHVKYMQRTIVVVBU-UHFFFAOYSA-N
XLogP1.44
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 128985923) is 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCC(C(F)(F)F)N(C)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HVKYMQRTIVVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-8-3-5-10(12(21)18-8)13(22)19-9-4-6-11(14(15,16)17)20(2)7-9/h3,5,9,11H,4,6-7H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 128985923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).