3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide

C14H18N4O4S — CID 171655346

IUPAC3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(=O)[nH]c21
InChIInChI=1S/C14H18N4O4S/c1-14(5-7-23(21,22)8-6-14)17-13(20)12-15-9-3-4-10(19)16-11(9)18(12)2/h3-4H,5-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHQRKENSGINTBIJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.04
Rot. Bonds2

About 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655346) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID171655346
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(=O)[nH]c21
InChIInChI=1S/C14H18N4O4S/c1-14(5-7-23(21,22)8-6-14)17-13(20)12-15-9-3-4-10(19)16-11(9)18(12)2/h3-4H,5-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHQRKENSGINTBIJ-UHFFFAOYSA-N
XLogP-0.04
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]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

4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide
CID 171655480
5-[(2S)-2-(2,2-difluoroethoxy)-4,4,4-trifluorobutoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655476
N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 42915483
1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
CID 171655386
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655163
4-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912917
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 42535829
6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide (CID 171655346) is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide is Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(=O)[nH]c21.
What is the InChIKey of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is HQRKENSGINTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-14(5-7-23(21,22)8-6-14)17-13(20)12-15-9-3-4-10(19)16-11(9)18(12)2/h3-4H,5-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide?
3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-oxo-4H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).