N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

C18H16ClF3N2O2 — CID 159933164

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)cc(C)n1
InChIInChI=1S/C18H16ClF3N2O2/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26)
InChIKeyNZXCPSYXSYNVJT-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.12
Rot. Bonds5

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 159933164) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
PubChem CID159933164
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)cc(C)n1
InChIInChI=1S/C18H16ClF3N2O2/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26)
InChIKeyNZXCPSYXSYNVJT-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 158165691
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 149183035
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 171676575
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 69267793
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (CID 159933164) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2Cl)cc(C)n1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The InChIKey is NZXCPSYXSYNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 159933164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).