6-pentyl-7,8-dihydro-5H-1,6-naphthyridine

C13H20N2 — CID 3058693

IUPAC6-pentyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C13H20N2/c1-2-3-4-9-15-10-7-13-12(11-15)6-5-8-14-13/h5-6,8H,2-4,7,9-11H2,1H3
InChIKeyUFSLDTDRRBRQGM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.63
Rot. Bonds4

About 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine

6-pentyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058693) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-pentyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058693
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-pentyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C13H20N2/c1-2-3-4-9-15-10-7-13-12(11-15)6-5-8-14-13/h5-6,8H,2-4,7,9-11H2,1H3
InChIKeyUFSLDTDRRBRQGM-UHFFFAOYSA-N
XLogP2.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine (CID 3058693) is 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine is CCCCCN1CCc2ncccc2C1.
What is the InChIKey of 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is UFSLDTDRRBRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-4-9-15-10-7-13-12(11-15)6-5-8-14-13/h5-6,8H,2-4,7,9-11H2,1H3.
What are the key properties of 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine?
6-pentyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 204.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).