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

C24H31N3O2 — CID 109149196

IUPAC1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCC(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C24H31N3O2/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/h4-5,10-11,13-14,16,20-21H,6-9,12,15H2,1-3H3,(H,26,28)
InChIKeyOTDIYMRFRKOTEG-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.14
Rot. Bonds6

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

1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149196) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149196
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCC(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C24H31N3O2/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/h4-5,10-11,13-14,16,20-21H,6-9,12,15H2,1-3H3,(H,26,28)
InChIKeyOTDIYMRFRKOTEG-UHFFFAOYSA-N
XLogP4.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)benzene-1,4-dicarboxamide
CID 109048101
2-N-(5-chloro-2-methylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138113
1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149214
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide (CID 109149196) is 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-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)cyclohexane-1,4-dicarboxamide?
The InChIKey is OTDIYMRFRKOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/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/h4-5,10-11,13-14,16,20-21H,6-9,12,15H2,1-3H3,(H,26,28).
What are the key properties of 1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.14, 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)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).