3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide

C12H23N3O — CID 81198649

IUPAC3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
SMILESCN1CCCC2CN(CCC(N)=O)CCC21
InChIInChI=1S/C12H23N3O/c1-14-6-2-3-10-9-15(7-4-11(10)14)8-5-12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)
InChIKeyZNHPMFULJIGJHE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds3

About 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide

3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide (PubChem CID 81198649) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
PubChem CID81198649
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
SMILESCN1CCCC2CN(CCC(N)=O)CCC21
InChIInChI=1S/C12H23N3O/c1-14-6-2-3-10-9-15(7-4-11(10)14)8-5-12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)
InChIKeyZNHPMFULJIGJHE-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide?
The IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide (CID 81198649) is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide.
What is the SMILES notation for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide?
The canonical SMILES for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide is CN1CCCC2CN(CCC(N)=O)CCC21.
What is the InChIKey of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide?
The InChIKey is ZNHPMFULJIGJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-6-2-3-10-9-15(7-4-11(10)14)8-5-12(13)16/h10-11H,2-9H2,1H3,(H2,13,16).
What are the key properties of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide?
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide is sourced from PubChem (CID 81198649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).