1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium

C11H15N2Re- — CID 166547546

IUPAC1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium
SMILESCC(C)N1CCCc2[c-]cncc21.[Re]
InChIInChI=1S/C11H15N2.Re/c1-9(2)13-7-3-4-10-5-6-12-8-11(10)13;/h6,8-9H,3-4,7H2,1-2H3;/q-1;
InChIKeyUQORXHARKZSCOP-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.04
Rot. Bonds1

About 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium

1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium (PubChem CID 166547546) has the molecular formula C11H15N2Re- and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium.

Molecular Properties

Compound Name1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium
PubChem CID166547546
Molecular FormulaC11H15N2Re-
Molecular Weight361.46 g/mol
Exact Mass362.08
IUPAC Name1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium
SMILESCC(C)N1CCCc2[c-]cncc21.[Re]
InChIInChI=1S/C11H15N2.Re/c1-9(2)13-7-3-4-10-5-6-12-8-11(10)13;/h6,8-9H,3-4,7H2,1-2H3;/q-1;
InChIKeyUQORXHARKZSCOP-UHFFFAOYSA-N
XLogP2.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium?
The IUPAC name of 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium (CID 166547546) is 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium.
What is the SMILES notation for 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium?
The canonical SMILES for 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium is CC(C)N1CCCc2[c-]cncc21.[Re].
What is the InChIKey of 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium?
The InChIKey is UQORXHARKZSCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2.Re/c1-9(2)13-7-3-4-10-5-6-12-8-11(10)13;/h6,8-9H,3-4,7H2,1-2H3;/q-1;.
What are the key properties of 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium?
1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium has a molecular weight of 361.46 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,4,5-tetrahydro-1,7-naphthyridin-5-ide;rhenium is sourced from PubChem (CID 166547546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).