7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C16H25N3O — CID 146423040

IUPAC7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCOCC1CCNC1)NCCC2
InChIInChI=1S/C16H25N3O/c1-3-14-5-6-15(19-16(14)18-8-1)4-2-10-20-12-13-7-9-17-11-13/h5-6,13,17H,1-4,7-12H2,(H,18,19)
InChIKeyNPARZQHJABZAJC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds6

About 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 146423040) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID146423040
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCOCC1CCNC1)NCCC2
InChIInChI=1S/C16H25N3O/c1-3-14-5-6-15(19-16(14)18-8-1)4-2-10-20-12-13-7-9-17-11-13/h5-6,13,17H,1-4,7-12H2,(H,18,19)
InChIKeyNPARZQHJABZAJC-UHFFFAOYSA-N
XLogP2.00
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine 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

7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
CID 146423102
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417599
7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417597
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 170052630
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxymethyl]cyclobutyl]propanoic acid
CID 153467938
[1-carboxy-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]propyl]azanide;yttrium
CID 171833196
7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 176954656
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
7-[5-methylidene-8-(2,2,2-trifluoroethoxy)octyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473699
7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
CID 176962231
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886

Frequently Asked Questions

What is the IUPAC name of 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 146423040) is 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is c1cc2c(nc1CCCOCC1CCNC1)NCCC2.
What is the InChIKey of 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is NPARZQHJABZAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14-5-6-15(19-16(14)18-8-1)4-2-10-20-12-13-7-9-17-11-13/h5-6,13,17H,1-4,7-12H2,(H,18,19).
What are the key properties of 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 275.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 146423040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).