N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine

C15H16N4S — CID 10286183

IUPACN'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccs2)cc2ncccc12
InChIInChI=1S/C15H16N4S/c16-6-3-8-18-15-11-4-1-7-17-12(11)10-13(19-15)14-5-2-9-20-14/h1-2,4-5,7,9-10H,3,6,8,16H2,(H,18,19)
InChIKeyKNJVMUQIMMIFRX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.12
Rot. Bonds5

About N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine

N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine (PubChem CID 10286183) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine
PubChem CID10286183
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccs2)cc2ncccc12
InChIInChI=1S/C15H16N4S/c16-6-3-8-18-15-11-4-1-7-17-12(11)10-13(19-15)14-5-2-9-20-14/h1-2,4-5,7,9-10H,3,6,8,16H2,(H,18,19)
InChIKeyKNJVMUQIMMIFRX-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine (CID 10286183) is N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine is NCCCNc1nc(-c2cccs2)cc2ncccc12.
What is the InChIKey of N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine?
The InChIKey is KNJVMUQIMMIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-6-3-8-18-15-11-4-1-7-17-12(11)10-13(19-15)14-5-2-9-20-14/h1-2,4-5,7,9-10H,3,6,8,16H2,(H,18,19).
What are the key properties of N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine?
N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-thiophen-2-yl-1,6-naphthyridin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 10286183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).