4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C20H16F3N3O2 — CID 1486035

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-5-6-18(27)26(13-17)12-15-1-3-16(4-2-15)19(28)25-11-14-7-9-24-10-8-14/h1-10,13H,11-12H2,(H,25,28)
InChIKeyNGJSLTLXYLFULS-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.24
Rot. Bonds5

About 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 1486035) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID1486035
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-5-6-18(27)26(13-17)12-15-1-3-16(4-2-15)19(28)25-11-14-7-9-24-10-8-14/h1-10,13H,11-12H2,(H,25,28)
InChIKeyNGJSLTLXYLFULS-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide 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 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 1486035) is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is NGJSLTLXYLFULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)17-5-6-18(27)26(13-17)12-15-1-3-16(4-2-15)19(28)25-11-14-7-9-24-10-8-14/h1-10,13H,11-12H2,(H,25,28).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 387.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 1486035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).