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

C15H12F3N3O3 — CID 2727113

IUPAC2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H12F3N3O3/c1-24-13-11(10(7-8-19-13)15(16,17)18)12(22)21-14(23)20-9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,21,22,23)
InChIKeyBQDKVXFAQJWIKE-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.07
Rot. Bonds3

About 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727113) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727113
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H12F3N3O3/c1-24-13-11(10(7-8-19-13)15(16,17)18)12(22)21-14(23)20-9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,21,22,23)
InChIKeyBQDKVXFAQJWIKE-UHFFFAOYSA-N
XLogP3.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727113) is 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is COc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BQDKVXFAQJWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-24-13-11(10(7-8-19-13)15(16,17)18)12(22)21-14(23)20-9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,21,22,23).
What are the key properties of 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 339.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(phenylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).