3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H27N3O — CID 82189237

IUPAC3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCN1CCc2c(cc(CN)c(=O)n2C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c1-2-8-19-9-7-16-14(12-19)10-13(11-18)17(21)20(16)15-5-3-4-6-15/h10,15H,2-9,11-12,18H2,1H3
InChIKeyJOPMBSSWJJQPBY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.19
Rot. Bonds4

About 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82189237) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82189237
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCN1CCc2c(cc(CN)c(=O)n2C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c1-2-8-19-9-7-16-14(12-19)10-13(11-18)17(21)20(16)15-5-3-4-6-15/h10,15H,2-9,11-12,18H2,1H3
InChIKeyJOPMBSSWJJQPBY-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one 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-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82189237) is 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCN1CCc2c(cc(CN)c(=O)n2C2CCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is JOPMBSSWJJQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-8-19-9-7-16-14(12-19)10-13(11-18)17(21)20(16)15-5-3-4-6-15/h10,15H,2-9,11-12,18H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).