3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide

C18H20ClN3O2 — CID 109102023

IUPAC3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-4-8-21-17(23)13-9-14(11-20-10-13)18(24)22-16-7-5-6-15(19)12(16)2/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySSFTUTVXFBLTAF-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.83
Rot. Bonds6

About 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide

3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109102023) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109102023
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-4-8-21-17(23)13-9-14(11-20-10-13)18(24)22-16-7-5-6-15(19)12(16)2/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySSFTUTVXFBLTAF-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-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-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide (CID 109102023) is 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is SSFTUTVXFBLTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-4-8-21-17(23)13-9-14(11-20-10-13)18(24)22-16-7-5-6-15(19)12(16)2/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).