2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide

C22H20ClN3O2 — CID 109085897

IUPAC2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14-3-6-16(7-4-14)13-25-21(27)17-9-10-24-20(11-17)22(28)26-19-12-18(23)8-5-15(19)2/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIBEXBFCLHQACCF-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.53
Rot. Bonds5

About 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide

2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085897) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085897
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14-3-6-16(7-4-14)13-25-21(27)17-9-10-24-20(11-17)22(28)26-19-12-18(23)8-5-15(19)2/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIBEXBFCLHQACCF-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085897) is 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide is Cc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is IBEXBFCLHQACCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14-3-6-16(7-4-14)13-25-21(27)17-9-10-24-20(11-17)22(28)26-19-12-18(23)8-5-15(19)2/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).