N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide

C16H22F3N3O2 — CID 128971744

IUPACN,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3
InChIKeyBNIDGKFFCOFMND-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.35
Rot. Bonds3

About N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide

N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide (PubChem CID 128971744) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
PubChem CID128971744
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3
InChIKeyBNIDGKFFCOFMND-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide (CID 128971744) is N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide is CC1OCCC1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The InChIKey is BNIDGKFFCOFMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128971744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).