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

C14H9Cl2F3N2O2 — CID 2727145

IUPACN-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O2/c1-21(7-2-3-10(15)11(16)4-7)13(23)8-6-20-12(22)5-9(8)14(17,18)19/h2-6H,1H3,(H,20,22)
InChIKeyGJIQBEFKASYIBV-UHFFFAOYSA-N
MW365.14 g/mol
LogP3.98
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 2727145) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID2727145
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC NameN-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O2/c1-21(7-2-3-10(15)11(16)4-7)13(23)8-6-20-12(22)5-9(8)14(17,18)19/h2-6H,1H3,(H,20,22)
InChIKeyGJIQBEFKASYIBV-UHFFFAOYSA-N
XLogP3.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 2727145) is N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GJIQBEFKASYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c1-21(7-2-3-10(15)11(16)4-7)13(23)8-6-20-12(22)5-9(8)14(17,18)19/h2-6H,1H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 365.14 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2727145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).