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

C21H18ClN3O3 — CID 109092947

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-3-4-16(12-18(13)22)25-20(26)14-9-10-23-19(11-14)21(27)24-15-5-7-17(28-2)8-6-15/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyXZJKBHVAQOBJMQ-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.56
Rot. Bonds5

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

4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092947) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109092947
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-3-4-16(12-18(13)22)25-20(26)14-9-10-23-19(11-14)21(27)24-15-5-7-17(28-2)8-6-15/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyXZJKBHVAQOBJMQ-UHFFFAOYSA-N
XLogP4.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide (CID 109092947) is 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccn2)cc1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is XZJKBHVAQOBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-3-4-16(12-18(13)22)25-20(26)14-9-10-23-19(11-14)21(27)24-15-5-7-17(28-2)8-6-15/h3-12H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).