N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

C17H17FN4 — CID 10193068

IUPACN'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccc(F)c2)cc2ncccc12
InChIInChI=1S/C17H17FN4/c18-13-5-1-4-12(10-13)15-11-16-14(6-2-8-20-16)17(22-15)21-9-3-7-19/h1-2,4-6,8,10-11H,3,7,9,19H2,(H,21,22)
InChIKeyJFJNDADYWGCNGU-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.20
Rot. Bonds5

About N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10193068) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10193068
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC NameN'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccc(F)c2)cc2ncccc12
InChIInChI=1S/C17H17FN4/c18-13-5-1-4-12(10-13)15-11-16-14(6-2-8-20-16)17(22-15)21-9-3-7-19/h1-2,4-6,8,10-11H,3,7,9,19H2,(H,21,22)
InChIKeyJFJNDADYWGCNGU-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10193068) is N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is NCCCNc1nc(-c2cccc(F)c2)cc2ncccc12.
What is the InChIKey of N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is JFJNDADYWGCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c18-13-5-1-4-12(10-13)15-11-16-14(6-2-8-20-16)17(22-15)21-9-3-7-19/h1-2,4-6,8,10-11H,3,7,9,19H2,(H,21,22).
What are the key properties of N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 296.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(3-fluorophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10193068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).