1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one

C14H22N2O2 — CID 104747569

IUPAC1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)C1CCOC1
InChIInChI=1S/C14H22N2O2/c1-2-6-15-14(12-5-9-18-11-12)10-16-7-3-13(17)4-8-16/h3-4,7-8,12,14-15H,2,5-6,9-11H2,1H3
InChIKeyQJXNJHVNDVDYAP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.25
Rot. Bonds6

About 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one

1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one (PubChem CID 104747569) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
PubChem CID104747569
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)C1CCOC1
InChIInChI=1S/C14H22N2O2/c1-2-6-15-14(12-5-9-18-11-12)10-16-7-3-13(17)4-8-16/h3-4,7-8,12,14-15H,2,5-6,9-11H2,1H3
InChIKeyQJXNJHVNDVDYAP-UHFFFAOYSA-N
XLogP1.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581
4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633
3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747873
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104745193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one (CID 104747569) is 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one is CCCNC(Cn1ccc(=O)cc1)C1CCOC1.
What is the InChIKey of 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one?
The InChIKey is QJXNJHVNDVDYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-6-15-14(12-5-9-18-11-12)10-16-7-3-13(17)4-8-16/h3-4,7-8,12,14-15H,2,5-6,9-11H2,1H3.
What are the key properties of 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one?
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 104747569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).