N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide

C25H25ClN6O6 — CID 143975133

IUPACN-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide
SMILES[H]/N=C(\C(=O)NCc1ccccc1)c1nc2c(c(Cl)c1O)N1C[C@@H](C)O[C@@H](C)C1C1(C2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C25H25ClN6O6/c1-11-10-32-18-14(8-25(20(32)12(2)38-11)22(35)30-24(37)31-23(25)36)29-17(19(33)15(18)26)16(27)21(34)28-9-13-6-4-3-5-7-13/h3-7,11-12,20,27,33H,8-10H2,1-2H3,(H,28,34)(H2,30,31,35,36,37)/b27-16-/t11-,12+,20?/m1/s1
InChIKeyHVBZWSXHZGTUGN-IUJNJBRNSA-N
MW540.96 g/mol
LogP1.02
Rot. Bonds4

About N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide

N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide (PubChem CID 143975133) has the molecular formula C25H25ClN6O6 and a molecular weight of 540.96 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide
PubChem CID143975133
Molecular FormulaC25H25ClN6O6
Molecular Weight540.96 g/mol
Exact Mass540.15
IUPAC NameN-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide
SMILES[H]/N=C(\C(=O)NCc1ccccc1)c1nc2c(c(Cl)c1O)N1C[C@@H](C)O[C@@H](C)C1C1(C2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C25H25ClN6O6/c1-11-10-32-18-14(8-25(20(32)12(2)38-11)22(35)30-24(37)31-23(25)36)29-17(19(33)15(18)26)16(27)21(34)28-9-13-6-4-3-5-7-13/h3-7,11-12,20,27,33H,8-10H2,1-2H3,(H,28,34)(H2,30,31,35,36,37)/b27-16-/t11-,12+,20?/m1/s1
InChIKeyHVBZWSXHZGTUGN-IUJNJBRNSA-N
XLogP1.02
TPSA173.81 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.96
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide?
The IUPAC name of N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide (CID 143975133) is N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide.
What is the SMILES notation for N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide?
The canonical SMILES for N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide is [H]/N=C(\C(=O)NCc1ccccc1)c1nc2c(c(Cl)c1O)N1C[C@@H](C)O[C@@H](C)C1C1(C2)C(=O)NC(=O)NC1=O.
What is the InChIKey of N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide?
The InChIKey is HVBZWSXHZGTUGN-IUJNJBRNSA-N. The full InChI is InChI=1S/C25H25ClN6O6/c1-11-10-32-18-14(8-25(20(32)12(2)38-11)22(35)30-24(37)31-23(25)36)29-17(19(33)15(18)26)16(27)21(34)28-9-13-6-4-3-5-7-13/h3-7,11-12,20,27,33H,8-10H2,1-2H3,(H,28,34)(H2,30,31,35,36,37)/b27-16-/t11-,12+,20?/m1/s1.
What are the key properties of N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide?
N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide has a molecular weight of 540.96 g/mol, XLogP of 1.02, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2'R,4'S)-10'-chloro-9'-hydroxy-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-yl]-2-iminoacetamide is sourced from PubChem (CID 143975133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).