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

C20H24ClN3OS — CID 16798210

IUPACN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-20(2,3)19(24)22-18-16(11-21)15-9-10-23(13-17(15)25-18)12-14-7-5-4-6-8-14;/h4-8H,9-10,12-13H2,1-3H3,(H,22,24);1H
InChIKeyXZIYZRPDMVZMRK-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.58
Rot. Bonds3

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

N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 16798210) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID16798210
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-20(2,3)19(24)22-18-16(11-21)15-9-10-23(13-17(15)25-18)12-14-7-5-4-6-8-14;/h4-8H,9-10,12-13H2,1-3H3,(H,22,24);1H
InChIKeyXZIYZRPDMVZMRK-UHFFFAOYSA-N
XLogP4.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1130140
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735966
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-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 767327
N-[(3-cyano-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 2861807
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

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)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride (CID 16798210) is N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=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)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is XZIYZRPDMVZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS.ClH/c1-20(2,3)19(24)22-18-16(11-21)15-9-10-23(13-17(15)25-18)12-14-7-5-4-6-8-14;/h4-8H,9-10,12-13H2,1-3H3,(H,22,24);1H.
What are the key properties of N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride?
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 4.58, 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)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 16798210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).