3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one

C10H13N3O2 — CID 105460257

IUPAC3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one
SMILESNc1cccc(CN2CCCOC2=O)n1
InChIInChI=1S/C10H13N3O2/c11-9-4-1-3-8(12-9)7-13-5-2-6-15-10(13)14/h1,3-4H,2,5-7H2,(H2,11,12)
InChIKeyAHNHJQZKKWHDOK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.01
Rot. Bonds2

About 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one

3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one (PubChem CID 105460257) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one
PubChem CID105460257
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one
SMILESNc1cccc(CN2CCCOC2=O)n1
InChIInChI=1S/C10H13N3O2/c11-9-4-1-3-8(12-9)7-13-5-2-6-15-10(13)14/h1,3-4H,2,5-7H2,(H2,11,12)
InChIKeyAHNHJQZKKWHDOK-UHFFFAOYSA-N
XLogP1.01
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one (CID 105460257) is 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one is Nc1cccc(CN2CCCOC2=O)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one?
The InChIKey is AHNHJQZKKWHDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9-4-1-3-8(12-9)7-13-5-2-6-15-10(13)14/h1,3-4H,2,5-7H2,(H2,11,12).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one?
3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 105460257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).