N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide

C16H22F3N3O2 — CID 128966298

IUPACN-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1CCCCO1
InChIInChI=1S/C16H22F3N3O2/c1-21(15(23)12-4-2-3-7-24-12)8-11-5-6-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3
InChIKeyURSQDPDYHFMBTL-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide

N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide (PubChem CID 128966298) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide
PubChem CID128966298
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1CCCCO1
InChIInChI=1S/C16H22F3N3O2/c1-21(15(23)12-4-2-3-7-24-12)8-11-5-6-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3
InChIKeyURSQDPDYHFMBTL-UHFFFAOYSA-N
XLogP2.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide (CID 128966298) is N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide is CN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1CCCCO1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide?
The InChIKey is URSQDPDYHFMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21(15(23)12-4-2-3-7-24-12)8-11-5-6-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide?
N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 128966298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).