N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide

C12H13N3O2S — CID 4577888

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2
InChIInChI=1S/C12H13N3O2S/c1-7(16)14-12-10(5-13)9-3-4-15(8(2)17)6-11(9)18-12/h3-4,6H2,1-2H3,(H,14,16)
InChIKeyWVIXRUWVRJZCBH-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.48
Rot. Bonds1

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 4577888) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID4577888
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2
InChIInChI=1S/C12H13N3O2S/c1-7(16)14-12-10(5-13)9-3-4-15(8(2)17)6-11(9)18-12/h3-4,6H2,1-2H3,(H,14,16)
InChIKeyWVIXRUWVRJZCBH-UHFFFAOYSA-N
XLogP1.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide 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

2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile
CID 264296
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 1830672
ethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816609
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
N-{3-Cyano-5,5,7,7-tetramethyl-4H,6H-thieno[2,3-C]pyridin-2-YL}propanamide
CID 741871
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)butyramide
CID 1149334
2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
CID 1245387
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (CID 4577888) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is CC(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is WVIXRUWVRJZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7(16)14-12-10(5-13)9-3-4-15(8(2)17)6-11(9)18-12/h3-4,6H2,1-2H3,(H,14,16).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 4577888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).