2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide

C22H20ClN3O2 — CID 109091966

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-8-14(2)10-18(9-13)26-21(27)16-6-7-24-20(11-16)22(28)25-17-5-4-15(3)19(23)12-17/h4-12H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBZFWSQPQSCTOSE-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.16
Rot. Bonds4

About 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide

2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109091966) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109091966
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-8-14(2)10-18(9-13)26-21(27)16-6-7-24-20(11-16)22(28)25-17-5-4-15(3)19(23)12-17/h4-12H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBZFWSQPQSCTOSE-UHFFFAOYSA-N
XLogP5.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109091966) is 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BZFWSQPQSCTOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-8-14(2)10-18(9-13)26-21(27)16-6-7-24-20(11-16)22(28)25-17-5-4-15(3)19(23)12-17/h4-12H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).