6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine

C17H18N2 — CID 6447454

IUPAC6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESC(=C/c1ccccc1)\CN1CCc2ncccc2C1
InChIInChI=1S/C17H18N2/c1-2-6-15(7-3-1)8-5-12-19-13-10-17-16(14-19)9-4-11-18-17/h1-9,11H,10,12-14H2/b8-5+
InChIKeyPWKJWZPRNGWKNN-VMPITWQZSA-N
MW250.35 g/mol
LogP3.15
Rot. Bonds3

About 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 6447454) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID6447454
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESC(=C/c1ccccc1)\CN1CCc2ncccc2C1
InChIInChI=1S/C17H18N2/c1-2-6-15(7-3-1)8-5-12-19-13-10-17-16(14-19)9-4-11-18-17/h1-9,11H,10,12-14H2/b8-5+
InChIKeyPWKJWZPRNGWKNN-VMPITWQZSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 6447454) is 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine is C(=C/c1ccccc1)\CN1CCc2ncccc2C1.
What is the InChIKey of 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is PWKJWZPRNGWKNN-VMPITWQZSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-6-15(7-3-1)8-5-12-19-13-10-17-16(14-19)9-4-11-18-17/h1-9,11H,10,12-14H2/b8-5+.
What are the key properties of 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 250.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 6447454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).