5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal

C14H20N2O — CID 57278810

IUPAC5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal
SMILESCC(CCCC=O)N1CCc2ncccc2C1
InChIInChI=1S/C14H20N2O/c1-12(5-2-3-10-17)16-9-7-14-13(11-16)6-4-8-15-14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3
InChIKeyUQBLBFYSRXTYGM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.20
Rot. Bonds5

About 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal

5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal (PubChem CID 57278810) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal.

Molecular Properties

Compound Name5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal
PubChem CID57278810
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal
SMILESCC(CCCC=O)N1CCc2ncccc2C1
InChIInChI=1S/C14H20N2O/c1-12(5-2-3-10-17)16-9-7-14-13(11-16)6-4-8-15-14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3
InChIKeyUQBLBFYSRXTYGM-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal?
The IUPAC name of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal (CID 57278810) is 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal.
What is the SMILES notation for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal?
The canonical SMILES for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal is CC(CCCC=O)N1CCc2ncccc2C1.
What is the InChIKey of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal?
The InChIKey is UQBLBFYSRXTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(5-2-3-10-17)16-9-7-14-13(11-16)6-4-8-15-14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3.
What are the key properties of 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal?
5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal has a molecular weight of 232.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal is sourced from PubChem (CID 57278810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).