2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide

C21H18ClN3O2 — CID 109085894

IUPAC2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14-5-7-15(8-6-14)13-24-20(26)16-9-10-23-19(11-16)21(27)25-18-4-2-3-17(22)12-18/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySIAWCDLSOUZAEQ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.23
Rot. Bonds5

About 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide

2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085894) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085894
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14-5-7-15(8-6-14)13-24-20(26)16-9-10-23-19(11-16)21(27)25-18-4-2-3-17(22)12-18/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySIAWCDLSOUZAEQ-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085894) is 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide is Cc1ccc(CNC(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is SIAWCDLSOUZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-5-7-15(8-6-14)13-24-20(26)16-9-10-23-19(11-16)21(27)25-18-4-2-3-17(22)12-18/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).