5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide

C18H20ClN3O2 — CID 109107345

IUPAC5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-4-9-22(2)18(24)14-10-13(11-20-12-14)17(23)21-16-8-6-5-7-15(16)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyQRQGMJMBGWMRSY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.86
Rot. Bonds6

About 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109107345) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109107345
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-4-9-22(2)18(24)14-10-13(11-20-12-14)17(23)21-16-8-6-5-7-15(16)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyQRQGMJMBGWMRSY-UHFFFAOYSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide (CID 109107345) is 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is QRQGMJMBGWMRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-4-9-22(2)18(24)14-10-13(11-20-12-14)17(23)21-16-8-6-5-7-15(16)19/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23).
What are the key properties of 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).