6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine

C18H18BrN5O2 — CID 177047363

IUPAC6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(OC2CNC2)n1
InChIInChI=1S/C9H9BrN2O2.C9H9N3/c10-8-2-1-6(5-13)12-9(8)14-7-3-11-4-7;1-10-8-5-4-7-3-2-6-11-9(7)12-8/h1-2,5,7,11H,3-4H2;2-6H,1H3,(H,10,11,12)
InChIKeyIGWGUCWJUGRZOL-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.68
Rot. Bonds4

About 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine

6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine (PubChem CID 177047363) has the molecular formula C18H18BrN5O2 and a molecular weight of 416.28 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine
PubChem CID177047363
Molecular FormulaC18H18BrN5O2
Molecular Weight416.28 g/mol
Exact Mass415.06
IUPAC Name6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(OC2CNC2)n1
InChIInChI=1S/C9H9BrN2O2.C9H9N3/c10-8-2-1-6(5-13)12-9(8)14-7-3-11-4-7;1-10-8-5-4-7-3-2-6-11-9(7)12-8/h1-2,5,7,11H,3-4H2;2-6H,1H3,(H,10,11,12)
InChIKeyIGWGUCWJUGRZOL-UHFFFAOYSA-N
XLogP2.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine (CID 177047363) is 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine is CNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(OC2CNC2)n1.
What is the InChIKey of 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The InChIKey is IGWGUCWJUGRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2.C9H9N3/c10-8-2-1-6(5-13)12-9(8)14-7-3-11-4-7;1-10-8-5-4-7-3-2-6-11-9(7)12-8/h1-2,5,7,11H,3-4H2;2-6H,1H3,(H,10,11,12).
What are the key properties of 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine?
6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine has a molecular weight of 416.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 177047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).