2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

C21H15ClN4O2 — CID 109086782

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClN4O2/c22-17-7-5-14(6-8-17)13-25-21(28)19-11-15(9-10-24-19)20(27)26-18-4-2-1-3-16(18)12-23/h1-11H,13H2,(H,25,28)(H,26,27)
InChIKeyMQMSVKSSMUGMST-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.79
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086782) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109086782
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClN4O2/c22-17-7-5-14(6-8-17)13-25-21(28)19-11-15(9-10-24-19)20(27)26-18-4-2-1-3-16(18)12-23/h1-11H,13H2,(H,25,28)(H,26,27)
InChIKeyMQMSVKSSMUGMST-UHFFFAOYSA-N
XLogP3.79
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109086782) is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is N#Cc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is MQMSVKSSMUGMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-17-7-5-14(6-8-17)13-25-21(28)19-11-15(9-10-24-19)20(27)26-18-4-2-1-3-16(18)12-23/h1-11H,13H2,(H,25,28)(H,26,27).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 390.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).