2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide

C21H17ClFN3O2 — CID 109092121

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1C
InChIInChI=1S/C21H17ClFN3O2/c1-12-4-3-5-18(13(12)2)26-20(27)14-8-9-24-19(10-14)21(28)25-15-6-7-17(23)16(22)11-15/h3-11H,1-2H3,(H,25,28)(H,26,27)
InChIKeyCQENKFORQQOYIT-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.00
Rot. Bonds4

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

2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092121) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109092121
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1C
InChIInChI=1S/C21H17ClFN3O2/c1-12-4-3-5-18(13(12)2)26-20(27)14-8-9-24-19(10-14)21(28)25-15-6-7-17(23)16(22)11-15/h3-11H,1-2H3,(H,25,28)(H,26,27)
InChIKeyCQENKFORQQOYIT-UHFFFAOYSA-N
XLogP5.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092969
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
2-N-(2,3-dimethylphenyl)-4-N-(2,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092030
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970
4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091879
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
4-N-(2,3-dimethylphenyl)-2-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092107

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109092121) is 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide is Cc1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1C.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is CQENKFORQQOYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-12-4-3-5-18(13(12)2)26-20(27)14-8-9-24-19(10-14)21(28)25-15-6-7-17(23)16(22)11-15/h3-11H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 5.00, 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-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).