6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide

C28H26ClN3O2 — CID 45228500

IUPAC6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C28H26ClN3O2/c1-32(18-20-8-4-2-5-9-20)19-24-16-17-25(27(33)30-24)28(34)31-26(21-10-6-3-7-11-21)22-12-14-23(29)15-13-22/h2-17,26H,18-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyOHMLYCWPMJRLGH-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.18
Rot. Bonds8

About 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide

6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 45228500) has the molecular formula C28H26ClN3O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID45228500
Molecular FormulaC28H26ClN3O2
Molecular Weight471.99 g/mol
Exact Mass471.17
IUPAC Name6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C28H26ClN3O2/c1-32(18-20-8-4-2-5-9-20)19-24-16-17-25(27(33)30-24)28(34)31-26(21-10-6-3-7-11-21)22-12-14-23(29)15-13-22/h2-17,26H,18-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyOHMLYCWPMJRLGH-UHFFFAOYSA-N
XLogP5.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-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-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 45228500) is 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide is CN(Cc1ccccc1)Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OHMLYCWPMJRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O2/c1-32(18-20-8-4-2-5-9-20)19-24-16-17-25(27(33)30-24)28(34)31-26(21-10-6-3-7-11-21)22-12-14-23(29)15-13-22/h2-17,26H,18-19H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45228500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).