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

C23H25N3O3 — CID 109216750

IUPAC4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1Nc1ccnc(C(=O)NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-21(17)26-18-12-13-24-22(16-18)23(27)25-14-15-29-20-10-8-19(28-2)9-11-20/h4-13,16H,3,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVERNMTDTELNWER-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.20
Rot. Bonds9

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

4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide (PubChem CID 109216750) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
PubChem CID109216750
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1Nc1ccnc(C(=O)NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-21(17)26-18-12-13-24-22(16-18)23(27)25-14-15-29-20-10-8-19(28-2)9-11-20/h4-13,16H,3,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVERNMTDTELNWER-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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

4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
N-(2,5-dimethoxyphenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220169
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide (CID 109216750) is 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide is CCc1ccccc1Nc1ccnc(C(=O)NCCOc2ccc(OC)cc2)c1.
What is the InChIKey of 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is VERNMTDTELNWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-21(17)26-18-12-13-24-22(16-18)23(27)25-14-15-29-20-10-8-19(28-2)9-11-20/h4-13,16H,3,14-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide?
4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109216750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).