(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

C17H25N3O2 — CID 129333948

IUPAC(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCN(C[C@H]1CCc2nccn2C1)C(=O)[C@H]1CC12CCOCC2
InChIInChI=1S/C17H25N3O2/c1-19(11-13-2-3-15-18-6-7-20(15)12-13)16(21)14-10-17(14)4-8-22-9-5-17/h6-7,13-14H,2-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyMYRJQCULOHGSAQ-ZIAGYGMSSA-N
MW303.41 g/mol
LogP1.72
Rot. Bonds3

About (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 129333948) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID129333948
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCN(C[C@H]1CCc2nccn2C1)C(=O)[C@H]1CC12CCOCC2
InChIInChI=1S/C17H25N3O2/c1-19(11-13-2-3-15-18-6-7-20(15)12-13)16(21)14-10-17(14)4-8-22-9-5-17/h6-7,13-14H,2-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyMYRJQCULOHGSAQ-ZIAGYGMSSA-N
XLogP1.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 129333948) is (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is CN(C[C@H]1CCc2nccn2C1)C(=O)[C@H]1CC12CCOCC2.
What is the InChIKey of (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is MYRJQCULOHGSAQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(11-13-2-3-15-18-6-7-20(15)12-13)16(21)14-10-17(14)4-8-22-9-5-17/h6-7,13-14H,2-5,8-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
(2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 129333948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).