5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide

C21H18ClN3O3 — CID 109108789

IUPAC5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-19-8-6-17(7-9-19)24-20(26)14-10-15(13-23-12-14)21(27)25-18-5-3-4-16(22)11-18/h3-13H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyLAIGYMGFGGVITF-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.64
Rot. Bonds6

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

5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108789) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108789
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-19-8-6-17(7-9-19)24-20(26)14-10-15(13-23-12-14)21(27)25-18-5-3-4-16(22)11-18/h3-13H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyLAIGYMGFGGVITF-UHFFFAOYSA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide (CID 109108789) is 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide is CCOc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is LAIGYMGFGGVITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-2-28-19-8-6-17(7-9-19)24-20(26)14-10-15(13-23-12-14)21(27)25-18-5-3-4-16(22)11-18/h3-13H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).