5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide

C21H17F2N3O3 — CID 109108941

IUPAC5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O3/c1-2-29-17-6-4-16(5-7-17)25-20(27)13-9-14(12-24-11-13)21(28)26-19-8-3-15(22)10-18(19)23/h3-12H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyGUMIZRUOXMKJAN-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.26
Rot. Bonds6

About 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide

5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108941) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108941
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O3/c1-2-29-17-6-4-16(5-7-17)25-20(27)13-9-14(12-24-11-13)21(28)26-19-8-3-15(22)10-18(19)23/h3-12H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyGUMIZRUOXMKJAN-UHFFFAOYSA-N
XLogP4.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
3-N-(2,4-difluorophenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107640
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(2,4-difluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234559
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide (CID 109108941) is 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide is CCOc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is GUMIZRUOXMKJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-2-29-17-6-4-16(5-7-17)25-20(27)13-9-14(12-24-11-13)21(28)26-19-8-3-15(22)10-18(19)23/h3-12H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 397.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).