N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H16F3N3O2 — CID 175358117

IUPACN-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccccc2)[nH]c(=O)c1CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H16F3N3O2/c1-12-9-16(13-5-3-2-4-6-13)26-19(28)15(12)11-25-18(27)14-7-8-17(24-10-14)20(21,22)23/h2-10H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyREUBBPOHXPGGEL-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.69
Rot. Bonds4

About N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175358117) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175358117
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccccc2)[nH]c(=O)c1CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H16F3N3O2/c1-12-9-16(13-5-3-2-4-6-13)26-19(28)15(12)11-25-18(27)14-7-8-17(24-10-14)20(21,22)23/h2-10H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyREUBBPOHXPGGEL-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)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 N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175358117) is N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(-c2ccccc2)[nH]c(=O)c1CNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is REUBBPOHXPGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-9-16(13-5-3-2-4-6-13)26-19(28)15(12)11-25-18(27)14-7-8-17(24-10-14)20(21,22)23/h2-10H,11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175358117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).