5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide

C18H21N3O3 — CID 109180300

IUPAC5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-10-20-18(22)17-9-4-14(13-21-17)19-11-12-24-16-7-5-15(23-2)6-8-16/h3-9,13,19H,1,10-12H2,2H3,(H,20,22)
InChIKeyKEZJLNMGIGGRJO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide

5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180300) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180300
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-10-20-18(22)17-9-4-14(13-21-17)19-11-12-24-16-7-5-15(23-2)6-8-16/h3-9,13,19H,1,10-12H2,2H3,(H,20,22)
InChIKeyKEZJLNMGIGGRJO-UHFFFAOYSA-N
XLogP2.50
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180272
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191483
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180434
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide (CID 109180300) is 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cn1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is KEZJLNMGIGGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-10-20-18(22)17-9-4-14(13-21-17)19-11-12-24-16-7-5-15(23-2)6-8-16/h3-9,13,19H,1,10-12H2,2H3,(H,20,22).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).