2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide

C20H24ClN3O2 — CID 109090075

IUPAC2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C20H24ClN3O2/c1-5-6-9-24(4)20(26)17-12-15(7-8-22-17)19(25)23-18-14(3)10-13(2)11-16(18)21/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25)
InChIKeyOZEIMPHCDSDAOC-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.48
Rot. Bonds6

About 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide

2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109090075) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID109090075
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C20H24ClN3O2/c1-5-6-9-24(4)20(26)17-12-15(7-8-22-17)19(25)23-18-14(3)10-13(2)11-16(18)21/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25)
InChIKeyOZEIMPHCDSDAOC-UHFFFAOYSA-N
XLogP4.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079488
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090083
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 109090075) is 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is OZEIMPHCDSDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-5-6-9-24(4)20(26)17-12-15(7-8-22-17)19(25)23-18-14(3)10-13(2)11-16(18)21/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25).
What are the key properties of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).