1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

C24H25N3O2 — CID 109048101

IUPAC1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-17-4-5-18(2)22(16-17)26-23(28)20-6-8-21(9-7-20)24(29)27(3)15-12-19-10-13-25-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,28)
InChIKeyNUFOSGONWFNZLH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.27
Rot. Bonds6

About 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109048101) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109048101
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-17-4-5-18(2)22(16-17)26-23(28)20-6-8-21(9-7-20)24(29)27(3)15-12-19-10-13-25-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,28)
InChIKeyNUFOSGONWFNZLH-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977845
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
N-(2,5-dimethylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2596518
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109048101) is 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is Cc1ccc(C)c(NC(=O)c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is NUFOSGONWFNZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-4-5-18(2)22(16-17)26-23(28)20-6-8-21(9-7-20)24(29)27(3)15-12-19-10-13-25-14-11-19/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,28).
What are the key properties of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).