1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one

C17H27N3O — CID 43627996

IUPAC1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCC3CCCCC32)c1
InChIInChI=1S/C17H27N3O/c18-15-8-9-17(21)20(13-15)12-4-11-19-10-3-6-14-5-1-2-7-16(14)19/h8-9,13-14,16H,1-7,10-12,18H2
InChIKeyHDEXUJDWGDPHTI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.48
Rot. Bonds4

About 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one

1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one (PubChem CID 43627996) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one.

Molecular Properties

Compound Name1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one
PubChem CID43627996
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCC3CCCCC32)c1
InChIInChI=1S/C17H27N3O/c18-15-8-9-17(21)20(13-15)12-4-11-19-10-3-6-14-5-1-2-7-16(14)19/h8-9,13-14,16H,1-7,10-12,18H2
InChIKeyHDEXUJDWGDPHTI-UHFFFAOYSA-N
XLogP2.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-3-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 86768780
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8849931
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8849933
1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8849934
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8849936
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
CID 17390487
5-Amino-1-(cyclohexylmethyl)-1,2-dihydropyridin-2-one
CID 24708924
1-[2-(Aminomethyl)cyclohexyl]pyridin-2-one
CID 43428508
5-Amino-1-[3-(3-ethylpiperidin-1-yl)propyl]pyridin-2-one
CID 43584184
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-5-aminopyridin-2-one
CID 43620125
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-5-aminopyridin-2-one
CID 43620126
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-5-aminopyridin-2-one
CID 43627994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one?
The IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one (CID 43627996) is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one.
What is the SMILES notation for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one?
The canonical SMILES for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one is Nc1ccc(=O)n(CCCN2CCCC3CCCCC32)c1.
What is the InChIKey of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one?
The InChIKey is HDEXUJDWGDPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-15-8-9-17(21)20(13-15)12-4-11-19-10-3-6-14-5-1-2-7-16(14)19/h8-9,13-14,16H,1-7,10-12,18H2.
What are the key properties of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one?
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]-5-aminopyridin-2-one is sourced from PubChem (CID 43627996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).