5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C21H21N3O3 — CID 109245293

IUPAC5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2cncc(C(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-27-20-10-6-16(7-11-20)23-18-12-15(13-22-14-18)21(25)24-17-4-8-19(26-2)9-5-17/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyQJVKFOYFQBRFDR-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.48
Rot. Bonds7

About 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109245293) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109245293
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2cncc(C(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-27-20-10-6-16(7-11-20)23-18-12-15(13-22-14-18)21(25)24-17-4-8-19(26-2)9-5-17/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyQJVKFOYFQBRFDR-UHFFFAOYSA-N
XLogP4.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245476
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 109245293) is 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(Nc2cncc(C(=O)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QJVKFOYFQBRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-27-20-10-6-16(7-11-20)23-18-12-15(13-22-14-18)21(25)24-17-4-8-19(26-2)9-5-17/h4-14,23H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).