[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

C21H25N5O3 — CID 97360870

IUPAC[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12
InChIInChI=1S/C21H25N5O3/c27-18(16-4-3-7-22-14-16)25-11-5-21(6-12-25)20-23-8-13-26(20)15-17(29-21)19(28)24-9-1-2-10-24/h3-4,7-8,13-14,17H,1-2,5-6,9-12,15H2/t17-/m0/s1
InChIKeyDJUMXMXLFSWWFI-KRWDZBQOSA-N
MW395.46 g/mol
LogP1.43
Rot. Bonds2

About [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97360870) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID97360870
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12
InChIInChI=1S/C21H25N5O3/c27-18(16-4-3-7-22-14-16)25-11-5-21(6-12-25)20-23-8-13-26(20)15-17(29-21)19(28)24-9-1-2-10-24/h3-4,7-8,13-14,17H,1-2,5-6,9-12,15H2/t17-/m0/s1
InChIKeyDJUMXMXLFSWWFI-KRWDZBQOSA-N
XLogP1.43
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (CID 97360870) is [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccnc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12.
What is the InChIKey of [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DJUMXMXLFSWWFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-18(16-4-3-7-22-14-16)25-11-5-21(6-12-25)20-23-8-13-26(20)15-17(29-21)19(28)24-9-1-2-10-24/h3-4,7-8,13-14,17H,1-2,5-6,9-12,15H2/t17-/m0/s1.
What are the key properties of [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.46 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97360870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).