N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide

C15H19N3O3S — CID 110704612

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN(C(=O)c1cccn2cc(C)nc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c1-3-18(12-6-8-22(20,21)10-12)15(19)13-5-4-7-17-9-11(2)16-14(13)17/h4-5,7,9,12H,3,6,8,10H2,1-2H3
InChIKeyCAOLODARYGDZKL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.29
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 110704612) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID110704612
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCN(C(=O)c1cccn2cc(C)nc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c1-3-18(12-6-8-22(20,21)10-12)15(19)13-5-4-7-17-9-11(2)16-14(13)17/h4-5,7,9,12H,3,6,8,10H2,1-2H3
InChIKeyCAOLODARYGDZKL-UHFFFAOYSA-N
XLogP1.29
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110697417
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CID 110701040
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
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N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide
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N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
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N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 110704612) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide is CCN(C(=O)c1cccn2cc(C)nc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is CAOLODARYGDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-18(12-6-8-22(20,21)10-12)15(19)13-5-4-7-17-9-11(2)16-14(13)17/h4-5,7,9,12H,3,6,8,10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 110704612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).