2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H19N3O3S — CID 71765015

IUPAC2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1
InChIInChI=1S/C18H19N3O3S/c1-12-4-9-16-20-13(2)17(21(16)11-12)18(22)19-10-14-5-7-15(8-6-14)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyZQAKGEQZKXZMJW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.28
Rot. Bonds4

About 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71765015) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71765015
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1
InChIInChI=1S/C18H19N3O3S/c1-12-4-9-16-20-13(2)17(21(16)11-12)18(22)19-10-14-5-7-15(8-6-14)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyZQAKGEQZKXZMJW-UHFFFAOYSA-N
XLogP2.28
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71765015) is 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1.
What is the InChIKey of 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZQAKGEQZKXZMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-4-9-16-20-13(2)17(21(16)11-12)18(22)19-10-14-5-7-15(8-6-14)25(3,23)24/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71765015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).