N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

C23H25N3O3 — CID 109239217

IUPACN-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-22(17)26-23(27)18-14-19(16-24-15-18)25-12-13-29-21-10-8-20(28-2)9-11-21/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyBAOAPEHYHHQJLH-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.40
Rot. Bonds9

About N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (PubChem CID 109239217) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
PubChem CID109239217
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-22(17)26-23(27)18-14-19(16-24-15-18)25-12-13-29-21-10-8-20(28-2)9-11-21/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyBAOAPEHYHHQJLH-UHFFFAOYSA-N
XLogP4.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109239160
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (CID 109239217) is N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(NCCOc2ccc(OC)cc2)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The InChIKey is BAOAPEHYHHQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-22(17)26-23(27)18-14-19(16-24-15-18)25-12-13-29-21-10-8-20(28-2)9-11-21/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109239217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).