1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide

C23H26N4O2 — CID 109149214

IUPAC1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H26N4O2/c1-27(14-11-17-9-12-25-13-10-17)23(29)20-7-5-19(6-8-20)22(28)26-21-4-2-3-18(15-21)16-24/h2-4,9-10,12-13,15,19-20H,5-8,11,14H2,1H3,(H,26,28)
InChIKeyGUKUOKCDXCXARR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.40
Rot. Bonds6

About 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide

1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149214) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149214
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C23H26N4O2/c1-27(14-11-17-9-12-25-13-10-17)23(29)20-7-5-19(6-8-20)22(28)26-21-4-2-3-18(15-21)16-24/h2-4,9-10,12-13,15,19-20H,5-8,11,14H2,1H3,(H,26,28)
InChIKeyGUKUOKCDXCXARR-UHFFFAOYSA-N
XLogP3.40
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138121
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
3-[(3-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 60990103
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide (CID 109149214) is 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide is CN(CCc1ccncc1)C(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GUKUOKCDXCXARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(14-11-17-9-12-25-13-10-17)23(29)20-7-5-19(6-8-20)22(28)26-21-4-2-3-18(15-21)16-24/h2-4,9-10,12-13,15,19-20H,5-8,11,14H2,1H3,(H,26,28).
What are the key properties of 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).