7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one

C15H23N3O — CID 60862584

IUPAC7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H23N3O/c16-9-4-2-1-3-7-15(19)18-11-8-14-13(12-18)6-5-10-17-14/h5-6,10H,1-4,7-9,11-12,16H2
InChIKeyDKWZQHZPMTWQJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds6

About 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one

7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one (PubChem CID 60862584) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
PubChem CID60862584
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H23N3O/c16-9-4-2-1-3-7-15(19)18-11-8-14-13(12-18)6-5-10-17-14/h5-6,10H,1-4,7-9,11-12,16H2
InChIKeyDKWZQHZPMTWQJC-UHFFFAOYSA-N
XLogP1.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-(methylamino)butan-1-one
CID 60862591
2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79472972
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
2-(1-aminocyclohexyl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 64683261
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
2-(tert-butylamino)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79257456
2-(5-aminopentanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559030
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-ylethanone
CID 54910538
2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 62799079
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one (CID 60862584) is 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one is NCCCCCCC(=O)N1CCc2ncccc2C1.
What is the InChIKey of 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one?
The InChIKey is DKWZQHZPMTWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-9-4-2-1-3-7-15(19)18-11-8-14-13(12-18)6-5-10-17-14/h5-6,10H,1-4,7-9,11-12,16H2.
What are the key properties of 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one?
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one is sourced from PubChem (CID 60862584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).