6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide

C21H18ClN3O3 — CID 109100872

IUPAC6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-16(22)5-3-6-17(13)25-21(27)19-8-4-7-18(24-19)20(26)23-14-9-11-15(28-2)12-10-14/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyPXURIRDMLASHET-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.56
Rot. Bonds5

About 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide

6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100872) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109100872
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-16(22)5-3-6-17(13)25-21(27)19-8-4-7-18(24-19)20(26)23-14-9-11-15(28-2)12-10-14/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyPXURIRDMLASHET-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

6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
6-N-(2-methoxyphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100195
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide (CID 109100872) is 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is PXURIRDMLASHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-16(22)5-3-6-17(13)25-21(27)19-8-4-7-18(24-19)20(26)23-14-9-11-15(28-2)12-10-14/h3-12H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-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 6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).