N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide

C22H20N4O2S — CID 17471291

IUPACN-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
SMILESCc1sc2ncn(CC(=O)N(Cc3ccccc3)c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C22H20N4O2S/c1-15-16(2)29-21-20(15)22(28)25(14-24-21)13-19(27)26(18-10-6-7-11-23-18)12-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3
InChIKeyZQQLOZKGZUJNNR-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide

N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide (PubChem CID 17471291) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
PubChem CID17471291
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
SMILESCc1sc2ncn(CC(=O)N(Cc3ccccc3)c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C22H20N4O2S/c1-15-16(2)29-21-20(15)22(28)25(14-24-21)13-19(27)26(18-10-6-7-11-23-18)12-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3
InChIKeyZQQLOZKGZUJNNR-UHFFFAOYSA-N
XLogP3.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide with MolForge

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Related Compounds

N-benzyl-N-tert-butyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18195203
3-[benzyl-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanamide
CID 24565153
N-(cyanomethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
CID 30833582
N-benzyl-N-ethyl-2-(6-hydroxy-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 177088797
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
CID 121064221
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8576675
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 39430068
N-benzyl-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 40842357
ethyl 3-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18076346
N-[(3,4-dimethoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576731
N-[(5-chlorothiophen-2-yl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576710
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 8603278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide (CID 17471291) is N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide is Cc1sc2ncn(CC(=O)N(Cc3ccccc3)c3ccccn3)c(=O)c2c1C.
What is the InChIKey of N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide?
The InChIKey is ZQQLOZKGZUJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-16(2)29-21-20(15)22(28)25(14-24-21)13-19(27)26(18-10-6-7-11-23-18)12-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide?
N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide has a molecular weight of 404.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 17471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).