N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C15H16F3N3O4 — CID 126474606

IUPACN-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)N(C)CC3OCCO3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H16F3N3O4/c1-20(8-10-24-6-7-25-10)14(22)11-12(15(16,17)18)19-13-9(23-2)4-3-5-21(11)13/h3-5,10H,6-8H2,1-2H3
InChIKeyMDJFBHNYJWMMNG-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.81
Rot. Bonds4

About N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126474606) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126474606
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)N(C)CC3OCCO3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H16F3N3O4/c1-20(8-10-24-6-7-25-10)14(22)11-12(15(16,17)18)19-13-9(23-2)4-3-5-21(11)13/h3-5,10H,6-8H2,1-2H3
InChIKeyMDJFBHNYJWMMNG-UHFFFAOYSA-N
XLogP1.81
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126474606) is N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cccn2c(C(=O)N(C)CC3OCCO3)c(C(F)(F)F)nc12.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MDJFBHNYJWMMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-20(8-10-24-6-7-25-10)14(22)11-12(15(16,17)18)19-13-9(23-2)4-3-5-21(11)13/h3-5,10H,6-8H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126474606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).