4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C22H20FN3O3 — CID 109086463

IUPAC4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-18(20)26-21(27)15-11-12-24-19(13-15)22(28)25-14-16-7-3-4-8-17(16)23/h3-13H,2,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYYXTZIJFVZHRFB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.80
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086463) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086463
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-18(20)26-21(27)15-11-12-24-19(13-15)22(28)25-14-16-7-3-4-8-17(16)23/h3-13H,2,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYYXTZIJFVZHRFB-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

4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086463) is 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is CCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is YYXTZIJFVZHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-2-29-20-10-6-5-9-18(20)26-21(27)15-11-12-24-19(13-15)22(28)25-14-16-7-3-4-8-17(16)23/h3-13H,2,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-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 4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).