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

C17H20N6O3 — CID 97385146

IUPAC(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccnnc3)CC2)O1
InChIInChI=1S/C17H20N6O3/c1-18-14(24)13-11-23-9-6-19-16(23)17(26-13)3-7-22(8-4-17)15(25)12-2-5-20-21-10-12/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,18,24)/t13-/m0/s1
InChIKeyHAMWBEDWUAJIIT-ZDUSSCGKSA-N
MW356.39 g/mol
LogP-0.05
Rot. Bonds2

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

(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97385146) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97385146
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccnnc3)CC2)O1
InChIInChI=1S/C17H20N6O3/c1-18-14(24)13-11-23-9-6-19-16(23)17(26-13)3-7-22(8-4-17)15(25)12-2-5-20-21-10-12/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,18,24)/t13-/m0/s1
InChIKeyHAMWBEDWUAJIIT-ZDUSSCGKSA-N
XLogP-0.05
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97385146) is (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccnnc3)CC2)O1.
What is the InChIKey of (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is HAMWBEDWUAJIIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-18-14(24)13-11-23-9-6-19-16(23)17(26-13)3-7-22(8-4-17)15(25)12-2-5-20-21-10-12/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,18,24)/t13-/m0/s1.
What are the key properties of (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 356.39 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97385146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).