6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

C17H20N2 — CID 91313301

IUPAC6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC(Cc1ccc2c(n1)CCCN2)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)12-15-9-10-16-17(19-15)8-5-11-18-16/h2-4,6-7,9-10,13,18H,5,8,11-12H2,1H3
InChIKeyKKXJQJXUUHUFFI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.79
Rot. Bonds3

About 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine

6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 91313301) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID91313301
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC(Cc1ccc2c(n1)CCCN2)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)12-15-9-10-16-17(19-15)8-5-11-18-16/h2-4,6-7,9-10,13,18H,5,8,11-12H2,1H3
InChIKeyKKXJQJXUUHUFFI-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 91313301) is 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is CC(Cc1ccc2c(n1)CCCN2)c1ccccc1.
What is the InChIKey of 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is KKXJQJXUUHUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)12-15-9-10-16-17(19-15)8-5-11-18-16/h2-4,6-7,9-10,13,18H,5,8,11-12H2,1H3.
What are the key properties of 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 252.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 91313301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).