N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C14H10F3N3O2 — CID 2727048

IUPACN-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cnccc1C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)12(21)20-13(22)19-9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22)
InChIKeyLNGJSYKMPCOAOV-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.06
Rot. Bonds2

About N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727048) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727048
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC NameN-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cnccc1C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)12(21)20-13(22)19-9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22)
InChIKeyLNGJSYKMPCOAOV-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727048) is N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC(=O)c1cnccc1C(F)(F)F)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LNGJSYKMPCOAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-18-8-10(11)12(21)20-13(22)19-9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22).
What are the key properties of N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 309.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).