2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide

C21H18ClN3O3 — CID 109097915

IUPAC2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-28-16-11-9-15(10-12-16)24-21(27)19-8-4-7-18(25-19)20(26)23-13-14-5-2-3-6-17(14)22/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyLBBRXNJTTXWVIR-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.93
Rot. Bonds6

About 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109097915) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109097915
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-28-16-11-9-15(10-12-16)24-21(27)19-8-4-7-18(25-19)20(26)23-13-14-5-2-3-6-17(14)22/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyLBBRXNJTTXWVIR-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
5-N-[(2-chlorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353628
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097991
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide (CID 109097915) is 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is LBBRXNJTTXWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-28-16-11-9-15(10-12-16)24-21(27)19-8-4-7-18(25-19)20(26)23-13-14-5-2-3-6-17(14)22/h2-12H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).