3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C19H24N4OS — CID 46943669

IUPAC3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C)c1c(C)nc2ccc(C(=O)NCc3cccs3)cn12
InChIInChI=1S/C19H24N4OS/c1-4-5-10-22(3)19-14(2)21-17-9-8-15(13-23(17)19)18(24)20-12-16-7-6-11-25-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyYYPNKFAIZBQQDX-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.87
Rot. Bonds7

About 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943669) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943669
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C)c1c(C)nc2ccc(C(=O)NCc3cccs3)cn12
InChIInChI=1S/C19H24N4OS/c1-4-5-10-22(3)19-14(2)21-17-9-8-15(13-23(17)19)18(24)20-12-16-7-6-11-25-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyYYPNKFAIZBQQDX-UHFFFAOYSA-N
XLogP3.87
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46943669) is 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCCCN(C)c1c(C)nc2ccc(C(=O)NCc3cccs3)cn12.
What is the InChIKey of 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is YYPNKFAIZBQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-5-10-22(3)19-14(2)21-17-9-8-15(13-23(17)19)18(24)20-12-16-7-6-11-25-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,24).
What are the key properties of 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-2-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).