3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide

C21H16N4O2 — CID 109055249

IUPAC3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H16N4O2/c22-13-18-4-1-2-7-19(18)25-21(27)17-6-3-5-16(12-17)20(26)24-14-15-8-10-23-11-9-15/h1-12H,14H2,(H,24,26)(H,25,27)
InChIKeyDZXXJWOPYKPUOC-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.14
Rot. Bonds5

About 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide

3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055249) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055249
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H16N4O2/c22-13-18-4-1-2-7-19(18)25-21(27)17-6-3-5-16(12-17)20(26)24-14-15-8-10-23-11-9-15/h1-12H,14H2,(H,24,26)(H,25,27)
InChIKeyDZXXJWOPYKPUOC-UHFFFAOYSA-N
XLogP3.14
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064933
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213375
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (CID 109055249) is 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is N#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is DZXXJWOPYKPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-13-18-4-1-2-7-19(18)25-21(27)17-6-3-5-16(12-17)20(26)24-14-15-8-10-23-11-9-15/h1-12H,14H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).