2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide

C21H18ClN3O2 — CID 109091288

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-3-6-16(7-4-13)24-20(26)15-9-10-23-19(11-15)21(27)25-17-8-5-14(2)18(22)12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyDVPQDDFKHLCBGM-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.86
Rot. Bonds4

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

2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109091288) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109091288
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-3-6-16(7-4-13)24-20(26)15-9-10-23-19(11-15)21(27)25-17-8-5-14(2)18(22)12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyDVPQDDFKHLCBGM-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide (CID 109091288) is 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DVPQDDFKHLCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-3-6-16(7-4-13)24-20(26)15-9-10-23-19(11-15)21(27)25-17-8-5-14(2)18(22)12-17/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).