N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H10ClF3N2O2 — CID 2727143

IUPACN-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O2/c1-20(9-4-2-8(15)3-5-9)13(22)10-7-19-12(21)6-11(10)14(16,17)18/h2-7H,1H3,(H,19,21)
InChIKeyGEZIKCNMJOPGMX-UHFFFAOYSA-N
MW330.69 g/mol
LogP3.32
Rot. Bonds2

About N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 2727143) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID2727143
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC NameN-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O2/c1-20(9-4-2-8(15)3-5-9)13(22)10-7-19-12(21)6-11(10)14(16,17)18/h2-7H,1H3,(H,19,21)
InChIKeyGEZIKCNMJOPGMX-UHFFFAOYSA-N
XLogP3.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 2727143) is N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GEZIKCNMJOPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c1-20(9-4-2-8(15)3-5-9)13(22)10-7-19-12(21)6-11(10)14(16,17)18/h2-7H,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2727143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).