N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C23H21F3N2O2 — CID 8698060

IUPACN-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C23H21F3N2O2/c1-3-28(20-6-4-5-16(2)13-20)22(30)18-9-12-21(29)27(15-18)14-17-7-10-19(11-8-17)23(24,25)26/h4-13,15H,3,14H2,1-2H3
InChIKeyYNHZNDVEWFMERI-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.89
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 8698060) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID8698060
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C23H21F3N2O2/c1-3-28(20-6-4-5-16(2)13-20)22(30)18-9-12-21(29)27(15-18)14-17-7-10-19(11-8-17)23(24,25)26/h4-13,15H,3,14H2,1-2H3
InChIKeyYNHZNDVEWFMERI-UHFFFAOYSA-N
XLogP4.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671252
N-ethyl-N-(3-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698112
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598795
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671332
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671308
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 8698060) is N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CCN(C(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YNHZNDVEWFMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-3-28(20-6-4-5-16(2)13-20)22(30)18-9-12-21(29)27(15-18)14-17-7-10-19(11-8-17)23(24,25)26/h4-13,15H,3,14H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8698060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).