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

C13H17N3OS — CID 919219

IUPACN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(C(C)C)C2
InChIInChI=1S/C13H17N3OS/c1-8(2)16-5-4-10-11(6-14)13(15-9(3)17)18-12(10)7-16/h8H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyIATIJBKGBQZIJT-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.34
Rot. Bonds2

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

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 919219) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID919219
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(C(C)C)C2
InChIInChI=1S/C13H17N3OS/c1-8(2)16-5-4-10-11(6-14)13(15-9(3)17)18-12(10)7-16/h8H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyIATIJBKGBQZIJT-UHFFFAOYSA-N
XLogP2.34
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 544962
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
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-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-1-ylacetamide
CID 705148
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 730298
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (CID 919219) is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is CC(=O)Nc1sc2c(c1C#N)CCN(C(C)C)C2.
What is the InChIKey of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is IATIJBKGBQZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)16-5-4-10-11(6-14)13(15-9(3)17)18-12(10)7-16/h8H,4-5,7H2,1-3H3,(H,15,17).
What are the key properties of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 919219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).