2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C12H17N3O2 — CID 116990354

IUPAC2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)(N)CCC1Oc2cccnc2NC1=O
InChIInChI=1S/C12H17N3O2/c1-12(2,13)6-5-9-11(16)15-10-8(17-9)4-3-7-14-10/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyREAMCXFGSUUPJI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.30
Rot. Bonds3

About 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990354) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990354
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)(N)CCC1Oc2cccnc2NC1=O
InChIInChI=1S/C12H17N3O2/c1-12(2,13)6-5-9-11(16)15-10-8(17-9)4-3-7-14-10/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyREAMCXFGSUUPJI-UHFFFAOYSA-N
XLogP1.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990354) is 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)(N)CCC1Oc2cccnc2NC1=O.
What is the InChIKey of 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is REAMCXFGSUUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,13)6-5-9-11(16)15-10-8(17-9)4-3-7-14-10/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).