N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H18F3N3O2 — CID 128998116

IUPACN-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1CCc2nccn2C1)C(=O)COCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-18(12(20)8-21-9-13(14,15)16)6-10-2-3-11-17-4-5-19(11)7-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyZXSOKUOIZGOWPL-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 128998116) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID128998116
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1CCc2nccn2C1)C(=O)COCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-18(12(20)8-21-9-13(14,15)16)6-10-2-3-11-17-4-5-19(11)7-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyZXSOKUOIZGOWPL-UHFFFAOYSA-N
XLogP1.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 128998116) is N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CN(CC1CCc2nccn2C1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ZXSOKUOIZGOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-18(12(20)8-21-9-13(14,15)16)6-10-2-3-11-17-4-5-19(11)7-10/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 128998116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).