5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide

C22H21N3O3 — CID 109108317

IUPAC5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-4-5-19(10-15(14)2)25-22(27)17-11-16(12-23-13-17)21(26)24-18-6-8-20(28-3)9-7-18/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyMDLFAJNRVHASLK-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.21
Rot. Bonds5

About 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide

5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108317) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108317
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-4-5-19(10-15(14)2)25-22(27)17-11-16(12-23-13-17)21(26)24-18-6-8-20(28-3)9-7-18/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyMDLFAJNRVHASLK-UHFFFAOYSA-N
XLogP4.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,5-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108274
3-N-(4-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108631
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109108317) is 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is MDLFAJNRVHASLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-4-5-19(10-15(14)2)25-22(27)17-11-16(12-23-13-17)21(26)24-18-6-8-20(28-3)9-7-18/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).