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

C23H20N4O2 — CID 109048122

IUPAC1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-27(15-12-17-10-13-25-14-11-17)23(29)20-6-4-19(5-7-20)22(28)26-21-8-2-18(16-24)3-9-21/h2-11,13-14H,12,15H2,1H3,(H,26,28)
InChIKeyJCOFXGYZCGAKJF-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.52
Rot. Bonds6

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

1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109048122) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109048122
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-27(15-12-17-10-13-25-14-11-17)23(29)20-6-4-19(5-7-20)22(28)26-21-8-2-18(16-24)3-9-21/h2-11,13-14H,12,15H2,1H3,(H,26,28)
InChIKeyJCOFXGYZCGAKJF-UHFFFAOYSA-N
XLogP3.52
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048101
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109048122) is 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is CN(CCc1ccncc1)C(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is JCOFXGYZCGAKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(15-12-17-10-13-25-14-11-17)23(29)20-6-4-19(5-7-20)22(28)26-21-8-2-18(16-24)3-9-21/h2-11,13-14H,12,15H2,1H3,(H,26,28).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).