6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C17H31N3O — CID 114763512

IUPAC6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCCCNC1CCC(N2CCC3NC(=O)CCC3C2)CC1
InChIInChI=1S/C17H31N3O/c1-2-10-18-14-4-6-15(7-5-14)20-11-9-16-13(12-20)3-8-17(21)19-16/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyCNAWTMIMMRKFII-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.90
Rot. Bonds4

About 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 114763512) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID114763512
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCCCNC1CCC(N2CCC3NC(=O)CCC3C2)CC1
InChIInChI=1S/C17H31N3O/c1-2-10-18-14-4-6-15(7-5-14)20-11-9-16-13(12-20)3-8-17(21)19-16/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyCNAWTMIMMRKFII-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-bromo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 174453871
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 131043404
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642967
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
CID 166946144
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262

Frequently Asked Questions

What is the IUPAC name of 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 114763512) is 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CCCNC1CCC(N2CCC3NC(=O)CCC3C2)CC1.
What is the InChIKey of 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is CNAWTMIMMRKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-10-18-14-4-6-15(7-5-14)20-11-9-16-13(12-20)3-8-17(21)19-16/h13-16,18H,2-12H2,1H3,(H,19,21).
What are the key properties of 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 114763512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).