1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one

C17H22N2O4 — CID 94758715

IUPAC1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
SMILESNc1ccc(OCCCn2cccc(OCCCO)c2=O)cc1
InChIInChI=1S/C17H22N2O4/c18-14-5-7-15(8-6-14)22-12-2-10-19-9-1-4-16(17(19)21)23-13-3-11-20/h1,4-9,20H,2-3,10-13,18H2
InChIKeyJSDVWFMVTFAGNT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.66
Rot. Bonds9

About 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one

1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one (PubChem CID 94758715) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
PubChem CID94758715
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
SMILESNc1ccc(OCCCn2cccc(OCCCO)c2=O)cc1
InChIInChI=1S/C17H22N2O4/c18-14-5-7-15(8-6-14)22-12-2-10-19-9-1-4-16(17(19)21)23-13-3-11-20/h1,4-9,20H,2-3,10-13,18H2
InChIKeyJSDVWFMVTFAGNT-UHFFFAOYSA-N
XLogP1.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579177
1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
CID 82150726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one?
The IUPAC name of 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one (CID 94758715) is 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one.
What is the SMILES notation for 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one?
The canonical SMILES for 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one is Nc1ccc(OCCCn2cccc(OCCCO)c2=O)cc1.
What is the InChIKey of 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one?
The InChIKey is JSDVWFMVTFAGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c18-14-5-7-15(8-6-14)22-12-2-10-19-9-1-4-16(17(19)21)23-13-3-11-20/h1,4-9,20H,2-3,10-13,18H2.
What are the key properties of 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one?
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one is sourced from PubChem (CID 94758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).