5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

C22H20FN3O3 — CID 109105558

IUPAC5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-19(20)26-22(28)17-11-16(12-24-13-17)21(27)25-14-15-7-3-4-8-18(15)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyYYNGEPMFTAOAIA-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.80
Rot. Bonds7

About 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105558) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105558
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-19(20)26-22(28)17-11-16(12-24-13-17)21(27)25-14-15-7-3-4-8-18(15)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyYYNGEPMFTAOAIA-UHFFFAOYSA-N
XLogP3.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189418
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281497
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105558) is 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is CCOc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is YYNGEPMFTAOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-19(20)26-22(28)17-11-16(12-24-13-17)21(27)25-14-15-7-3-4-8-18(15)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).