2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C17H14F3N3O2 — CID 155546889

IUPAC2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2/c1-11-15(23-8-3-2-7-14(23)22-11)16(24)21-10-12-5-4-6-13(9-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyXTPNHAPSHOBUSG-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155546889) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155546889
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2/c1-11-15(23-8-3-2-7-14(23)22-11)16(24)21-10-12-5-4-6-13(9-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyXTPNHAPSHOBUSG-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155546889) is 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XTPNHAPSHOBUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-11-15(23-8-3-2-7-14(23)22-11)16(24)21-10-12-5-4-6-13(9-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155546889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).