1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one

C13H20N2O — CID 63914624

IUPAC1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O/c1-2-7-14-13(11-3-4-11)10-15-8-5-12(16)6-9-15/h5-6,8-9,11,13-14H,2-4,7,10H2,1H3
InChIKeySILIUMMZTQFCEK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one

1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one (PubChem CID 63914624) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
PubChem CID63914624
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O/c1-2-7-14-13(11-3-4-11)10-15-8-5-12(16)6-9-15/h5-6,8-9,11,13-14H,2-4,7,10H2,1H3
InChIKeySILIUMMZTQFCEK-UHFFFAOYSA-N
XLogP1.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
CID 63914629
1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63913764
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63913073
5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770
1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879481
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63912853
1-[3-(propylamino)butyl]pyridin-4-one
CID 62879649
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879646
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one (CID 63914624) is 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one is CCCNC(Cn1ccc(=O)cc1)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one?
The InChIKey is SILIUMMZTQFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-7-14-13(11-3-4-11)10-15-8-5-12(16)6-9-15/h5-6,8-9,11,13-14H,2-4,7,10H2,1H3.
What are the key properties of 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one?
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one has a molecular weight of 220.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 63914624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).