N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide

C16H18N4O2S — CID 134489983

IUPACN,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCc1csc(-c2cnc3c(c2)n(CC(=O)N(C)C)c(=O)n3C)c1
InChIInChI=1S/C16H18N4O2S/c1-10-5-13(23-9-10)11-6-12-15(17-7-11)19(4)16(22)20(12)8-14(21)18(2)3/h5-7,9H,8H2,1-4H3
InChIKeyYHSHZMVEPTTZEN-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.86
Rot. Bonds3

About N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide

N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 134489983) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID134489983
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCc1csc(-c2cnc3c(c2)n(CC(=O)N(C)C)c(=O)n3C)c1
InChIInChI=1S/C16H18N4O2S/c1-10-5-13(23-9-10)11-6-12-15(17-7-11)19(4)16(22)20(12)8-14(21)18(2)3/h5-7,9H,8H2,1-4H3
InChIKeyYHSHZMVEPTTZEN-UHFFFAOYSA-N
XLogP1.86
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide (CID 134489983) is N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide is Cc1csc(-c2cnc3c(c2)n(CC(=O)N(C)C)c(=O)n3C)c1.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is YHSHZMVEPTTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-5-13(23-9-10)11-6-12-15(17-7-11)19(4)16(22)20(12)8-14(21)18(2)3/h5-7,9H,8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide?
N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-6-(4-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 134489983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).