N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H19N3O2S — CID 71810349

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC(CNC(=O)c1c(C)nc2ccccn12)c1ccc(C)s1
InChIInChI=1S/C17H19N3O2S/c1-11-7-8-14(23-11)13(22-3)10-18-17(21)16-12(2)19-15-6-4-5-9-20(15)16/h4-9,13H,10H2,1-3H3,(H,18,21)
InChIKeyQQCTWJLKFVCHEU-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.13
Rot. Bonds5

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71810349) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71810349
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC(CNC(=O)c1c(C)nc2ccccn12)c1ccc(C)s1
InChIInChI=1S/C17H19N3O2S/c1-11-7-8-14(23-11)13(22-3)10-18-17(21)16-12(2)19-15-6-4-5-9-20(15)16/h4-9,13H,10H2,1-3H3,(H,18,21)
InChIKeyQQCTWJLKFVCHEU-UHFFFAOYSA-N
XLogP3.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 71810349) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COC(CNC(=O)c1c(C)nc2ccccn12)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QQCTWJLKFVCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-7-8-14(23-11)13(22-3)10-18-17(21)16-12(2)19-15-6-4-5-9-20(15)16/h4-9,13H,10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71810349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).