(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione

C22H23N5O5 — CID 67319969

IUPAC(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
SMILESCOc1ccncc1-c1ccc2c(n1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21
InChIInChI=1S/C22H23N5O5/c1-11-10-27-16-5-4-14(13-9-23-7-6-17(13)31-3)24-15(16)8-22(18(27)12(2)32-11)19(28)25-21(30)26-20(22)29/h4-7,9,11-12,18H,8,10H2,1-3H3,(H2,25,26,28,29,30)/t11-,12+,18-/m1/s1
InChIKeyLVPSXXGCALPPGP-FTLABTOESA-N
MW437.46 g/mol
LogP1.04
Rot. Bonds2

About (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione

(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione (PubChem CID 67319969) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
PubChem CID67319969
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
SMILESCOc1ccncc1-c1ccc2c(n1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21
InChIInChI=1S/C22H23N5O5/c1-11-10-27-16-5-4-14(13-9-23-7-6-17(13)31-3)24-15(16)8-22(18(27)12(2)32-11)19(28)25-21(30)26-20(22)29/h4-7,9,11-12,18H,8,10H2,1-3H3,(H2,25,26,28,29,30)/t11-,12+,18-/m1/s1
InChIKeyLVPSXXGCALPPGP-FTLABTOESA-N
XLogP1.04
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The IUPAC name of (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione (CID 67319969) is (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione.
What is the SMILES notation for (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The canonical SMILES for (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione is COc1ccncc1-c1ccc2c(n1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21.
What is the InChIKey of (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The InChIKey is LVPSXXGCALPPGP-FTLABTOESA-N. The full InChI is InChI=1S/C22H23N5O5/c1-11-10-27-16-5-4-14(13-9-23-7-6-17(13)31-3)24-15(16)8-22(18(27)12(2)32-11)19(28)25-21(30)26-20(22)29/h4-7,9,11-12,18H,8,10H2,1-3H3,(H2,25,26,28,29,30)/t11-,12+,18-/m1/s1.
What are the key properties of (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
(2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione has a molecular weight of 437.46 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4'S,4'aS)-8'-(4-methoxy-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 67319969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).