(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

C21H21N5O4 — CID 67320763

IUPAC(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ncc(-c4ccccn4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C21H21N5O4/c1-11-10-26-16(12(2)30-11)21(18(27)24-20(29)25-19(21)28)8-13-7-14(9-23-17(13)26)15-5-3-4-6-22-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H2,24,25,27,28,29)/t11-,12+,16-/m1/s1
InChIKeyRFIUOBIQBMWPKL-BFQNTYOBSA-N
MW407.43 g/mol
LogP1.03
Rot. Bonds1

About (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (PubChem CID 67320763) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
PubChem CID67320763
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ncc(-c4ccccn4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C21H21N5O4/c1-11-10-26-16(12(2)30-11)21(18(27)24-20(29)25-19(21)28)8-13-7-14(9-23-17(13)26)15-5-3-4-6-22-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H2,24,25,27,28,29)/t11-,12+,16-/m1/s1
InChIKeyRFIUOBIQBMWPKL-BFQNTYOBSA-N
XLogP1.03
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The IUPAC name of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (CID 67320763) is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.
What is the SMILES notation for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The canonical SMILES for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is C[C@@H]1CN2c3ncc(-c4ccccn4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The InChIKey is RFIUOBIQBMWPKL-BFQNTYOBSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-11-10-26-16(12(2)30-11)21(18(27)24-20(29)25-19(21)28)8-13-7-14(9-23-17(13)26)15-5-3-4-6-22-15/h3-7,9,11-12,16H,8,10H2,1-2H3,(H2,24,25,27,28,29)/t11-,12+,16-/m1/s1.
What are the key properties of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione has a molecular weight of 407.43 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 67320763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).