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

C21H18ClN3O3 — CID 109085469

IUPAC2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-28-19-8-7-16(12-17(19)22)25-20(26)15-9-10-23-18(11-15)21(27)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLZIKVHMXGYSLGT-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.93
Rot. Bonds6

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

2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085469) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109085469
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-28-19-8-7-16(12-17(19)22)25-20(26)15-9-10-23-18(11-15)21(27)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLZIKVHMXGYSLGT-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

4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide (CID 109085469) is 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is LZIKVHMXGYSLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-28-19-8-7-16(12-17(19)22)25-20(26)15-9-10-23-18(11-15)21(27)24-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-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-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).