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

C17H25N3OS — CID 741873

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
SMILESCC1(C)Cc2c(sc(NC(=O)C(C)(C)C)c2C#N)C(C)(C)N1
InChIInChI=1S/C17H25N3OS/c1-15(2,3)14(21)19-13-11(9-18)10-8-16(4,5)20-17(6,7)12(10)22-13/h20H,8H2,1-7H3,(H,19,21)
InChIKeyBDKPEEWOMYLNOO-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.76
Rot. Bonds1

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

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide (PubChem CID 741873) 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)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
PubChem CID741873
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)-2,2-dimethylpropanamide
SMILESCC1(C)Cc2c(sc(NC(=O)C(C)(C)C)c2C#N)C(C)(C)N1
InChIInChI=1S/C17H25N3OS/c1-15(2,3)14(21)19-13-11(9-18)10-8-16(4,5)20-17(6,7)12(10)22-13/h20H,8H2,1-7H3,(H,19,21)
InChIKeyBDKPEEWOMYLNOO-UHFFFAOYSA-N
XLogP3.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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)-2,2-dimethylpropanamide with MolForge

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Related Compounds

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CID 726183
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
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N-{3-Cyano-5,5,7,7-tetramethyl-4H,6H-thieno[2,3-C]pyridin-2-YL}propanamide
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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)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide (CID 741873) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide is CC1(C)Cc2c(sc(NC(=O)C(C)(C)C)c2C#N)C(C)(C)N1.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is BDKPEEWOMYLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-15(2,3)14(21)19-13-11(9-18)10-8-16(4,5)20-17(6,7)12(10)22-13/h20H,8H2,1-7H3,(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)-2,2-dimethylpropanamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 319.47 g/mol, XLogP of 3.76, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 741873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).