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

C17H24F3N3O2 — CID 128966779

IUPACN-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)CC1CCCCO1
InChIInChI=1S/C17H24F3N3O2/c1-22(16(24)8-13-4-2-3-7-25-13)9-12-5-6-15-21-14(17(18,19)20)11-23(15)10-12/h11-13H,2-10H2,1H3
InChIKeyJFBADNAHNFQNBB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.88
Rot. Bonds4

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

N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (PubChem CID 128966779) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
PubChem CID128966779
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC NameN-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)CC1CCCCO1
InChIInChI=1S/C17H24F3N3O2/c1-22(16(24)8-13-4-2-3-7-25-13)9-12-5-6-15-21-14(17(18,19)20)11-23(15)10-12/h11-13H,2-10H2,1H3
InChIKeyJFBADNAHNFQNBB-UHFFFAOYSA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (CID 128966779) is N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is CN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)CC1CCCCO1.
What is the InChIKey of N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The InChIKey is JFBADNAHNFQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-22(16(24)8-13-4-2-3-7-25-13)9-12-5-6-15-21-14(17(18,19)20)11-23(15)10-12/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is sourced from PubChem (CID 128966779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).