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

C21H18ClN3O2 — CID 109085399

IUPAC2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)14-24-20(26)17-10-11-23-19(12-17)21(27)25-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyLCRMMGRGROMUMJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.60
Rot. Bonds6

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

2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085399) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085399
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)14-24-20(26)17-10-11-23-19(12-17)21(27)25-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyLCRMMGRGROMUMJ-UHFFFAOYSA-N
XLogP3.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085399) is 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide is O=C(NCc1ccc(Cl)cc1)c1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is LCRMMGRGROMUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)14-24-20(26)17-10-11-23-19(12-17)21(27)25-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.60, 6 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)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).