N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide

C17H25N3OS — CID 741872

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C
InChIInChI=1S/C17H25N3OS/c1-10(2)7-13(21)19-15-12(9-18)11-8-16(3,4)20-17(5,6)14(11)22-15/h10,20H,7-8H2,1-6H3,(H,19,21)
InChIKeyYNDFOADRIPCMAI-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.76
Rot. Bonds3

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide (PubChem CID 741872) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide
PubChem CID741872
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C
InChIInChI=1S/C17H25N3OS/c1-10(2)7-13(21)19-15-12(9-18)11-8-16(3,4)20-17(5,6)14(11)22-15/h10,20H,7-8H2,1-6H3,(H,19,21)
InChIKeyYNDFOADRIPCMAI-UHFFFAOYSA-N
XLogP3.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide with MolForge

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Related Compounds

hGCGR antagonist
CID 619101
2-amino-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 790234
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylpropanamide
CID 4613462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclohexanecarboxamide
CID 847353

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide (CID 741872) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide?
The InChIKey is YNDFOADRIPCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-10(2)7-13(21)19-15-12(9-18)11-8-16(3,4)20-17(5,6)14(11)22-15/h10,20H,7-8H2,1-6H3,(H,19,21).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide has a molecular weight of 319.47 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide is sourced from PubChem (CID 741872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).