2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one

C9H9N3O2 — CID 130673898

IUPAC2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESC[C@@H](N)c1nc2ncccc2c(=O)o1
InChIInChI=1S/C9H9N3O2/c1-5(10)8-12-7-6(9(13)14-8)3-2-4-11-7/h2-5H,10H2,1H3/t5-/m1/s1
InChIKeyHHQQNUKVOSLEAR-RXMQYKEDSA-N
MW191.19 g/mol
LogP0.60
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one

2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one (PubChem CID 130673898) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one
PubChem CID130673898
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESC[C@@H](N)c1nc2ncccc2c(=O)o1
InChIInChI=1S/C9H9N3O2/c1-5(10)8-12-7-6(9(13)14-8)3-2-4-11-7/h2-5H,10H2,1H3/t5-/m1/s1
InChIKeyHHQQNUKVOSLEAR-RXMQYKEDSA-N
XLogP0.60
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one (CID 130673898) is 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one is C[C@@H](N)c1nc2ncccc2c(=O)o1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one?
The InChIKey is HHQQNUKVOSLEAR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5(10)8-12-7-6(9(13)14-8)3-2-4-11-7/h2-5H,10H2,1H3/t5-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one?
2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]pyrido[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 130673898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).