N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H12F3N3O3 — CID 37485168

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H12F3N3O3/c1-23-13-8(3-2-6-18-13)7-19-11(21)9-4-5-10(14(15,16)17)20-12(9)22/h2-6H,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRBBZVGYXUOINR-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.73
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 37485168) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID37485168
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H12F3N3O3/c1-23-13-8(3-2-6-18-13)7-19-11(21)9-4-5-10(14(15,16)17)20-12(9)22/h2-6H,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRBBZVGYXUOINR-UHFFFAOYSA-N
XLogP1.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 37485168) is N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ncccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IRBBZVGYXUOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-23-13-8(3-2-6-18-13)7-19-11(21)9-4-5-10(14(15,16)17)20-12(9)22/h2-6H,7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 37485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).