2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

C23H25N3O3 — CID 109174915

IUPAC2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-9-21(17(2)14-16)26-22-15-18(10-11-24-22)23(27)25-12-13-29-20-7-5-19(28-3)6-8-20/h4-11,14-15H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIEYXEXSRIGJZLR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.26
Rot. Bonds8

About 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (PubChem CID 109174915) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
PubChem CID109174915
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-9-21(17(2)14-16)26-22-15-18(10-11-24-22)23(27)25-12-13-29-20-7-5-19(28-3)6-8-20/h4-11,14-15H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIEYXEXSRIGJZLR-UHFFFAOYSA-N
XLogP4.26
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.26
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

2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167576
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (CID 109174915) is 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccnc(Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is IEYXEXSRIGJZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-9-21(17(2)14-16)26-22-15-18(10-11-24-22)23(27)25-12-13-29-20-7-5-19(28-3)6-8-20/h4-11,14-15H,12-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109174915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).