(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one

C10H13N3O2 — CID 130317243

IUPAC(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one
SMILESCN1C(=O)C[C@@H](N)COc2cccnc21
InChIInChI=1S/C10H13N3O2/c1-13-9(14)5-7(11)6-15-8-3-2-4-12-10(8)13/h2-4,7H,5-6,11H2,1H3/t7-/m1/s1
InChIKeyHLRXHPHEMVVFPD-SSDOTTSWSA-N
MW207.23 g/mol
LogP0.15
Rot. Bonds

About (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one

(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one (PubChem CID 130317243) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one.

Molecular Properties

Compound Name(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one
PubChem CID130317243
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one
SMILESCN1C(=O)C[C@@H](N)COc2cccnc21
InChIInChI=1S/C10H13N3O2/c1-13-9(14)5-7(11)6-15-8-3-2-4-12-10(8)13/h2-4,7H,5-6,11H2,1H3/t7-/m1/s1
InChIKeyHLRXHPHEMVVFPD-SSDOTTSWSA-N
XLogP0.15
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one with MolForge

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Related Compounds

2H-pyrido(3,2-b)-1,4-oxazin-3(4H)-one
CID 88499
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
3-Ethoxypyridin-2-amine
CID 586630
2-Methylpyrido[3,2-b][1,4]oxazepin-4(5h)-one
CID 283447
2-phenoxy-N-(2-pyridinyl)butanamide
CID 644606
2-methyl-N-(3-morpholinopropyl)-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 5094232
3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethylamino)-N-(5-methoxypyridin-2-yl)-3-methylbutanamide
CID 46890914
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-acetyl-
CID 16748396
2-(2-hydroxyethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 5168307
2-(Acetylamino)-3-pyridyl acetate
CID 2800224
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one
CID 137317098
2H-Pyrido(3,2-b)(1,4)oxazine-2-carboxamide, N,N-diethyl-3-(diethylamino)-
CID 3065548

Frequently Asked Questions

What is the IUPAC name of (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one?
The IUPAC name of (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one (CID 130317243) is (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one.
What is the SMILES notation for (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one?
The canonical SMILES for (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one is CN1C(=O)C[C@@H](N)COc2cccnc21.
What is the InChIKey of (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one?
The InChIKey is HLRXHPHEMVVFPD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-9(14)5-7(11)6-15-8-3-2-4-12-10(8)13/h2-4,7H,5-6,11H2,1H3/t7-/m1/s1.
What are the key properties of (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one?
(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one has a molecular weight of 207.23 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one is sourced from PubChem (CID 130317243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).