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

C17H18ClN3OS — CID 24762097

IUPACN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13;/h2-6H,7-8,10-11H2,1H3,(H,19,21);1H
InChIKeyMYQZDZJLIYQYCN-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.56
Rot. Bonds3

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

N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride (PubChem CID 24762097) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride
PubChem CID24762097
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C17H17N3OS.ClH/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13;/h2-6H,7-8,10-11H2,1H3,(H,19,21);1H
InChIKeyMYQZDZJLIYQYCN-UHFFFAOYSA-N
XLogP3.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 684674
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
2-Amino-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-phenyl-acrylamide
CID 756098
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 767327
N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(4-isopropylphenyl)acrylamide
CID 1220139
2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 2468190
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5-dimethylthiophen-2-yl]acetamide
CID 3984749
N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]butanamide
CID 4586733
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
CID 7189699
N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(4-methylphenyl)propana mide
CID 16644244

Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride (CID 24762097) is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride is CC(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.Cl.
What is the InChIKey of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride?
The InChIKey is MYQZDZJLIYQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS.ClH/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13;/h2-6H,7-8,10-11H2,1H3,(H,19,21);1H.
What are the key properties of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride?
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 24762097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).