N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide

C26H30N8O4 — CID 171733405

IUPACN-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C(CC1CC1)C(=O)N1CC2(CC1C#N)Oc1cccnc1NC2=O)n1cc(C2CC2)nn1
InChIInChI=1S/C26H30N8O4/c1-15(34-13-19(30-31-34)17-7-8-17)23(35)32(2)20(10-16-5-6-16)24(36)33-14-26(11-18(33)12-27)25(37)29-22-21(38-26)4-3-9-28-22/h3-4,9,13,15-18,20H,5-8,10-11,14H2,1-2H3,(H,28,29,37)
InChIKeyVVJVFDATSIYGHT-UHFFFAOYSA-N
MW518.58 g/mol
LogP1.63
Rot. Bonds7

About N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide

N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide (PubChem CID 171733405) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide
PubChem CID171733405
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC NameN-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C(CC1CC1)C(=O)N1CC2(CC1C#N)Oc1cccnc1NC2=O)n1cc(C2CC2)nn1
InChIInChI=1S/C26H30N8O4/c1-15(34-13-19(30-31-34)17-7-8-17)23(35)32(2)20(10-16-5-6-16)24(36)33-14-26(11-18(33)12-27)25(37)29-22-21(38-26)4-3-9-28-22/h3-4,9,13,15-18,20H,5-8,10-11,14H2,1-2H3,(H,28,29,37)
InChIKeyVVJVFDATSIYGHT-UHFFFAOYSA-N
XLogP1.63
TPSA146.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide with MolForge

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Related Compounds

N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide
CID 171732706
(2S)-N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-N,4,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 171732711
(2R)-N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-N-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 171732714
(2S)-N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4,4,4-trifluoro-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171732724
(2S)-N-[(2S)-1-[(2R,2'S)-2'-cyano-6-methyl-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 171732736
N-[(1S)-1-(1-bicyclo[1.1.1]pentanyl)-2-[[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 171732748
N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-N-methyl-1-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxamide
CID 171732751
(2R)-N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-3-cyclopropyl-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 171732810
N-[(1S)-2-[[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-methylamino]-1-(3,3-difluorocyclobutyl)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 171732819
N-[(1S)-2-[[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 171732829
(2S,3R)-N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]-N-methyl-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171732850
N-[2-[[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 171732872

Frequently Asked Questions

What is the IUPAC name of N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide (CID 171733405) is N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide is CC(C(=O)N(C)C(CC1CC1)C(=O)N1CC2(CC1C#N)Oc1cccnc1NC2=O)n1cc(C2CC2)nn1.
What is the InChIKey of N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide?
The InChIKey is VVJVFDATSIYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-15(34-13-19(30-31-34)17-7-8-17)23(35)32(2)20(10-16-5-6-16)24(36)33-14-26(11-18(33)12-27)25(37)29-22-21(38-26)4-3-9-28-22/h3-4,9,13,15-18,20H,5-8,10-11,14H2,1-2H3,(H,28,29,37).
What are the key properties of N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide?
N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide has a molecular weight of 518.58 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-2-(4-cyclopropyltriazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 171733405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).