2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide

C15H18BrN3O2 — CID 86302567

IUPAC2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O
InChIInChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20)
InChIKeyJLISQSJZEJOQPX-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.32
Rot. Bonds5

About 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide

2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide (PubChem CID 86302567) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide
PubChem CID86302567
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O
InChIInChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20)
InChIKeyJLISQSJZEJOQPX-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide (CID 86302567) is 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O.
What is the InChIKey of 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is JLISQSJZEJOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide?
2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 352.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 86302567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).