4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

C21H27N3O2 — CID 109090030

IUPAC4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)N(CC)c2cccc(C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-7-13-23(4)20(25)17-11-12-22-19(15-17)21(26)24(6-2)18-10-8-9-16(3)14-18/h8-12,14-15H,5-7,13H2,1-4H3
InChIKeyLKHIURGROKXNOX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.93
Rot. Bonds7

About 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109090030) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109090030
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)N(CC)c2cccc(C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-7-13-23(4)20(25)17-11-12-22-19(15-17)21(26)24(6-2)18-10-8-9-16(3)14-18/h8-12,14-15H,5-7,13H2,1-4H3
InChIKeyLKHIURGROKXNOX-UHFFFAOYSA-N
XLogP3.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-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

2-N-ethyl-2-N-(3-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090530
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087759
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109208050
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355332

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (CID 109090030) is 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)N(CC)c2cccc(C)c2)c1.
What is the InChIKey of 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is LKHIURGROKXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-7-13-23(4)20(25)17-11-12-22-19(15-17)21(26)24(6-2)18-10-8-9-16(3)14-18/h8-12,14-15H,5-7,13H2,1-4H3.
What are the key properties of 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).