N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

C13H13N3O3S — CID 95198240

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)nc12
InChIInChI=1S/C13H13N3O3S/c1-9-3-2-5-16-7-11(15-12(9)16)13(17)14-10-4-6-20(18,19)8-10/h2-7,10H,8H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeySPMKVQASINUALW-SNVBAGLBSA-N
MW291.33 g/mol
LogP0.68
Rot. Bonds2

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95198240) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95198240
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)nc12
InChIInChI=1S/C13H13N3O3S/c1-9-3-2-5-16-7-11(15-12(9)16)13(17)14-10-4-6-20(18,19)8-10/h2-7,10H,8H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeySPMKVQASINUALW-SNVBAGLBSA-N
XLogP0.68
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 74236872
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
N-(cyclohexylmethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051378
2-[2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331133
2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
CID 58252544
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 134704612
(8-methylimidazo[1,2-a]pyridin-2-yl)-piperazin-1-ylmethanone
CID 39162238
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525
8-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 137205295
8-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119061171
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
CID 77085920
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 95198240) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccn2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)nc12.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SPMKVQASINUALW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9-3-2-5-16-7-11(15-12(9)16)13(17)14-10-4-6-20(18,19)8-10/h2-7,10H,8H2,1H3,(H,14,17)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95198240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).