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

C22H20FN3O2 — CID 109105539

IUPAC5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O2/c1-2-15-7-4-6-10-20(15)26-22(28)18-11-17(12-24-13-18)21(27)25-14-16-8-3-5-9-19(16)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyGGEMVYJTWZHNNI-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.97
Rot. Bonds6

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

5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105539) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105539
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O2/c1-2-15-7-4-6-10-20(15)26-22(28)18-11-17(12-24-13-18)21(27)25-14-16-8-3-5-9-19(16)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyGGEMVYJTWZHNNI-UHFFFAOYSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105539) is 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is CCc1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is GGEMVYJTWZHNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-2-15-7-4-6-10-20(15)26-22(28)18-11-17(12-24-13-18)21(27)25-14-16-8-3-5-9-19(16)23/h3-13H,2,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).