N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

C17H17BrN4 — CID 10193693

IUPACN'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2ccc(Br)cc2)cc2ncccc12
InChIInChI=1S/C17H17BrN4/c18-13-6-4-12(5-7-13)15-11-16-14(3-1-9-20-16)17(22-15)21-10-2-8-19/h1,3-7,9,11H,2,8,10,19H2,(H,21,22)
InChIKeyDEPZWPCYJCJMNI-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.82
Rot. Bonds5

About N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10193693) has the molecular formula C17H17BrN4 and a molecular weight of 357.25 g/mol. Its IUPAC name is N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10193693
Molecular FormulaC17H17BrN4
Molecular Weight357.25 g/mol
Exact Mass356.06
IUPAC NameN'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2ccc(Br)cc2)cc2ncccc12
InChIInChI=1S/C17H17BrN4/c18-13-6-4-12(5-7-13)15-11-16-14(3-1-9-20-16)17(22-15)21-10-2-8-19/h1,3-7,9,11H,2,8,10,19H2,(H,21,22)
InChIKeyDEPZWPCYJCJMNI-UHFFFAOYSA-N
XLogP3.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.82
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-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10193693) is N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is NCCCNc1nc(-c2ccc(Br)cc2)cc2ncccc12.
What is the InChIKey of N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is DEPZWPCYJCJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c18-13-6-4-12(5-7-13)15-11-16-14(3-1-9-20-16)17(22-15)21-10-2-8-19/h1,3-7,9,11H,2,8,10,19H2,(H,21,22).
What are the key properties of N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 357.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10193693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).