N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

C19H20N4O4S — CID 154804963

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCN(C(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O4S/c1-22(15-6-7-28(26,27)11-15)18(24)13-5-3-4-12(8-13)14-9-16-17(20-10-14)21-19(25)23(16)2/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,20,21,25)
InChIKeyJSEZRNAIRLBGSA-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.19
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 154804963) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID154804963
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCN(C(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N4O4S/c1-22(15-6-7-28(26,27)11-15)18(24)13-5-3-4-12(8-13)14-9-16-17(20-10-14)21-19(25)23(16)2/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,20,21,25)
InChIKeyJSEZRNAIRLBGSA-UHFFFAOYSA-N
XLogP1.19
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
CID 126425276
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 154753034
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766511
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
CID 56951391
3-(1,1-dioxothiazinan-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 110295552
N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56951514
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 75453858
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 154804963) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is CN(C(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is JSEZRNAIRLBGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-22(15-6-7-28(26,27)11-15)18(24)13-5-3-4-12(8-13)14-9-16-17(20-10-14)21-19(25)23(16)2/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,20,21,25).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 154804963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).