6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C19H20F3N3O3 — CID 126465577

IUPAC6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)[nH]c1=O
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)16-4-2-1-3-13(16)11-23-17(26)15-6-5-14(24-18(15)27)12-25-7-9-28-10-8-25/h1-6H,7-12H2,(H,23,26)(H,24,27)
InChIKeyILNNCSFZLQSNMP-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.16
Rot. Bonds5

About 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 126465577) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID126465577
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)[nH]c1=O
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)16-4-2-1-3-13(16)11-23-17(26)15-6-5-14(24-18(15)27)12-25-7-9-28-10-8-25/h1-6H,7-12H2,(H,23,26)(H,24,27)
InChIKeyILNNCSFZLQSNMP-UHFFFAOYSA-N
XLogP2.16
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-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 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 126465577) is 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)[nH]c1=O.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is ILNNCSFZLQSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)16-4-2-1-3-13(16)11-23-17(26)15-6-5-14(24-18(15)27)12-25-7-9-28-10-8-25/h1-6H,7-12H2,(H,23,26)(H,24,27).
What are the key properties of 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).