1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide

C18H15N5O3 — CID 137480004

IUPAC1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
SMILESN#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccccc3)ccc1NC2=O
InChIInChI=1S/C18H15N5O3/c19-11-23-9-8-18(10-23)17(25)22-14-7-6-13(21-16(14)26-18)15(24)20-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,24)(H,22,25)
InChIKeyGSFOZGZZBRWSKD-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.59
Rot. Bonds2

About 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide

1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide (PubChem CID 137480004) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide.

Molecular Properties

Compound Name1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
PubChem CID137480004
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
SMILESN#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccccc3)ccc1NC2=O
InChIInChI=1S/C18H15N5O3/c19-11-23-9-8-18(10-23)17(25)22-14-7-6-13(21-16(14)26-18)15(24)20-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,24)(H,22,25)
InChIKeyGSFOZGZZBRWSKD-UHFFFAOYSA-N
XLogP1.59
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

6-Cyclopropylmethoxy-5-pyrrolidin-1-yl-pyridine-2-carboxylic acid (1,1-dimethyl-3-morpholin-4-yl-propyl)-amide
CID 71105558
US10654853, Example 144
CID 137378645
US10654853, Example 141
CID 137378615
US10654853, Example 48
CID 137378653
US10654853, Example 54
CID 137479985
US10654853, Example 142
CID 137479949
US10654853, Example 65
CID 137479997
tert-butyl (3R)-6-[(4-fluorophenyl)carbamoyl]-2-oxospiro[pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1-carboxylate
CID 137378655
(3S)-1'-cyano-N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
CID 137378682
N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
CID 137378686
tert-butyl 6-[(4-fluorophenyl)carbamoyl]-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carboxylate
CID 137378702
1-tert-butyl-N-(4-fluorophenyl)-2-oxospiro[pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
CID 170606392

Frequently Asked Questions

What is the IUPAC name of 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The IUPAC name of 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide (CID 137480004) is 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide.
What is the SMILES notation for 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The canonical SMILES for 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide is N#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccccc3)ccc1NC2=O.
What is the InChIKey of 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The InChIKey is GSFOZGZZBRWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c19-11-23-9-8-18(10-23)17(25)22-14-7-6-13(21-16(14)26-18)15(24)20-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,24)(H,22,25).
What are the key properties of 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyano-2-oxo-N-phenylspiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide is sourced from PubChem (CID 137480004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).