N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide

C13H17N3O3S — CID 131897855

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
SMILESCN(Cc1cnc2ccccn12)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-15(13(17)6-8-20(2,18)19)10-11-9-14-12-5-3-4-7-16(11)12/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeySJAYQUWQHLBPTI-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.73
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide (PubChem CID 131897855) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
PubChem CID131897855
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
SMILESCN(Cc1cnc2ccccn12)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-15(13(17)6-8-20(2,18)19)10-11-9-14-12-5-3-4-7-16(11)12/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeySJAYQUWQHLBPTI-UHFFFAOYSA-N
XLogP0.73
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide (CID 131897855) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide is CN(Cc1cnc2ccccn12)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide?
The InChIKey is SJAYQUWQHLBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-15(13(17)6-8-20(2,18)19)10-11-9-14-12-5-3-4-7-16(11)12/h3-5,7,9H,6,8,10H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide has a molecular weight of 295.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 131897855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).