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

C18H23N5O2 — CID 118740907

IUPAC1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN1CCC2(CC1)OC(C(=O)NCc1cccnc1)Cn1ccnc12
InChIInChI=1S/C18H23N5O2/c1-22-8-4-18(5-9-22)17-20-7-10-23(17)13-15(25-18)16(24)21-12-14-3-2-6-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyUENOIEUIMFBAHB-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.91
Rot. Bonds3

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

1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118740907) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118740907
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN1CCC2(CC1)OC(C(=O)NCc1cccnc1)Cn1ccnc12
InChIInChI=1S/C18H23N5O2/c1-22-8-4-18(5-9-22)17-20-7-10-23(17)13-15(25-18)16(24)21-12-14-3-2-6-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyUENOIEUIMFBAHB-UHFFFAOYSA-N
XLogP0.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-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'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118740907) is 1'-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'-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'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN1CCC2(CC1)OC(C(=O)NCc1cccnc1)Cn1ccnc12.
What is the InChIKey of 1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is UENOIEUIMFBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-8-4-18(5-9-22)17-20-7-10-23(17)13-15(25-18)16(24)21-12-14-3-2-6-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of 1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
1'-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 341.42 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-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 118740907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).