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

C18H21N5O3 — CID 118739649

IUPACN-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccccn3)CC2)O1
InChIInChI=1S/C18H21N5O3/c1-19-15(24)14-12-23-11-8-21-17(23)18(26-14)5-9-22(10-6-18)16(25)13-4-2-3-7-20-13/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,24)
InChIKeyUDAZTXRSRWQGOW-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.55
Rot. Bonds2

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

N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118739649) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118739649
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccccn3)CC2)O1
InChIInChI=1S/C18H21N5O3/c1-19-15(24)14-12-23-11-8-21-17(23)18(26-14)5-9-22(10-6-18)16(25)13-4-2-3-7-20-13/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,24)
InChIKeyUDAZTXRSRWQGOW-UHFFFAOYSA-N
XLogP0.55
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118739649) is N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccccn3)CC2)O1.
What is the InChIKey of N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is UDAZTXRSRWQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-19-15(24)14-12-23-11-8-21-17(23)18(26-14)5-9-22(10-6-18)16(25)13-4-2-3-7-20-13/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,24).
What are the key properties of N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 118739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).