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

C17H19N5O3 — CID 118740817

IUPAC1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccncc3)CC2)O1
InChIInChI=1S/C17H19N5O3/c18-14(23)13-11-22-10-7-20-16(22)17(25-13)3-8-21(9-4-17)15(24)12-1-5-19-6-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H2,18,23)
InChIKeyRIBNZQGUYZFDMA-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.29
Rot. Bonds2

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

1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118740817) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118740817
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccncc3)CC2)O1
InChIInChI=1S/C17H19N5O3/c18-14(23)13-11-22-10-7-20-16(22)17(25-13)3-8-21(9-4-17)15(24)12-1-5-19-6-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H2,18,23)
InChIKeyRIBNZQGUYZFDMA-UHFFFAOYSA-N
XLogP0.29
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118740817) is 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is NC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccncc3)CC2)O1.
What is the InChIKey of 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is RIBNZQGUYZFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c18-14(23)13-11-22-10-7-20-16(22)17(25-13)3-8-21(9-4-17)15(24)12-1-5-19-6-2-12/h1-2,5-7,10,13H,3-4,8-9,11H2,(H2,18,23).
What are the key properties of 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 118740817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).