1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C25H26N6O2 — CID 131638793

About 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131638793) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• PubChem CID: 131638793
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
• SMILES: N#Cc1cccc(CN2CCC3(CC2)OC(C(=O)NCc2cccnc2)Cn2ccnc23)c1
• InChI: InChI=1S/C25H26N6O2/c26-14-19-3-1-4-20(13-19)17-30-10-6-25(7-11-30)24-28-9-12-31(24)18-22(33-25)23(32)29-16-21-5-2-8-27-15-21/h1-5,8-9,12-13,15,22H,6-7,10-11,16-18H2,(H,29,32)
• InChIKey: IDSNDHKIZMTIJC-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 96.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The IUPAC name of 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131638793) is 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

What is the SMILES notation for 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The canonical SMILES for 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is N#Cc1cccc(CN2CCC3(CC2)OC(C(=O)NCc2cccnc2)Cn2ccnc23)c1.

What is the InChIKey of 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

The InChIKey is IDSNDHKIZMTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c26-14-19-3-1-4-20(13-19)17-30-10-6-25(7-11-30)24-28-9-12-31(24)18-22(33-25)23(32)29-16-21-5-2-8-27-15-21/h1-5,8-9,12-13,15,22H,6-7,10-11,16-18H2,(H,29,32).

What are the key properties of 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?

1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131638793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).