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

C14H12F3N3O2 — CID 126474981

IUPAC8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C14H12F3N3O2/c1-4-7-19(2)13(21)10-11(14(15,16)17)18-12-9(22-3)6-5-8-20(10)12/h1,5-6,8H,7H2,2-3H3
InChIKeyBJQKPMCSNICHHB-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.07
Rot. Bonds3

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

8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126474981) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126474981
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C14H12F3N3O2/c1-4-7-19(2)13(21)10-11(14(15,16)17)18-12-9(22-3)6-5-8-20(10)12/h1,5-6,8H,7H2,2-3H3
InChIKeyBJQKPMCSNICHHB-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126474981) is 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is C#CCN(C)C(=O)c1c(C(F)(F)F)nc2c(OC)cccn12.
What is the InChIKey of 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BJQKPMCSNICHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-4-7-19(2)13(21)10-11(14(15,16)17)18-12-9(22-3)6-5-8-20(10)12/h1,5-6,8H,7H2,2-3H3.
What are the key properties of 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyl-N-prop-2-ynyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126474981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).