2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide

C20H16ClN3O2 — CID 109085462

IUPAC2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H16ClN3O2/c21-16-6-8-17(9-7-16)24-19(25)15-10-11-22-18(12-15)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyCCIQXTHIRBXUJA-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.92
Rot. Bonds5

About 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide

2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085462) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109085462
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H16ClN3O2/c21-16-6-8-17(9-7-16)24-19(25)15-10-11-22-18(12-15)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyCCIQXTHIRBXUJA-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
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
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide (CID 109085462) is 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide is O=C(Nc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is CCIQXTHIRBXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-16-6-8-17(9-7-16)24-19(25)15-10-11-22-18(12-15)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).