7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine

C16H18BrN3O2 — CID 133482136

IUPAC7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NC3CCC4(CC3)OCCO4)ccnc2c1
InChIInChI=1S/C16H18BrN3O2/c17-11-9-14-15(19-10-11)13(3-6-18-14)20-12-1-4-16(5-2-12)21-7-8-22-16/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,18,20)
InChIKeyAOZGTIDYMFBJRN-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.49
Rot. Bonds2

About 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine

7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine (PubChem CID 133482136) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
PubChem CID133482136
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NC3CCC4(CC3)OCCO4)ccnc2c1
InChIInChI=1S/C16H18BrN3O2/c17-11-9-14-15(19-10-11)13(3-6-18-14)20-12-1-4-16(5-2-12)21-7-8-22-16/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,18,20)
InChIKeyAOZGTIDYMFBJRN-UHFFFAOYSA-N
XLogP3.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133481723
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
CID 102738731
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
CID 59541162
7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
CID 104891810
4-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine
CID 122621790
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine
CID 79042500
7-bromo-N-(2-pyrazol-1-ylcyclohexyl)-1,5-naphthyridin-4-amine
CID 133483777

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine (CID 133482136) is 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine is Brc1cnc2c(NC3CCC4(CC3)OCCO4)ccnc2c1.
What is the InChIKey of 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine?
The InChIKey is AOZGTIDYMFBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-11-9-14-15(19-10-11)13(3-6-18-14)20-12-1-4-16(5-2-12)21-7-8-22-16/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,18,20).
What are the key properties of 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine?
7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine has a molecular weight of 364.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133482136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).