7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine

C15H18BrN3O — CID 104891810

IUPAC7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
SMILESCOC1CC(Nc2ccnc3cc(Br)cnc23)C1(C)C
InChIInChI=1S/C15H18BrN3O/c1-15(2)12(7-13(15)20-3)19-10-4-5-17-11-6-9(16)8-18-14(10)11/h4-6,8,12-13H,7H2,1-3H3,(H,17,19)
InChIKeyZKYCXDBGAJZSQX-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.62
Rot. Bonds3

About 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine

7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine (PubChem CID 104891810) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
PubChem CID104891810
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
SMILESCOC1CC(Nc2ccnc3cc(Br)cnc23)C1(C)C
InChIInChI=1S/C15H18BrN3O/c1-15(2)12(7-13(15)20-3)19-10-4-5-17-11-6-9(16)8-18-14(10)11/h4-6,8,12-13H,7H2,1-3H3,(H,17,19)
InChIKeyZKYCXDBGAJZSQX-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
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-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
CID 133482136
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119313
3-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-5-nitropyridin-2-amine
CID 104576469
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine
CID 104891823
2-bromo-1-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylbenzene-1,4-diamine
CID 114118687

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine (CID 104891810) is 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine is COC1CC(Nc2ccnc3cc(Br)cnc23)C1(C)C.
What is the InChIKey of 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine?
The InChIKey is ZKYCXDBGAJZSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-15(2)12(7-13(15)20-3)19-10-4-5-17-11-6-9(16)8-18-14(10)11/h4-6,8,12-13H,7H2,1-3H3,(H,17,19).
What are the key properties of 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).