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

C15H21N3OS — CID 741871

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C
InChIInChI=1S/C15H21N3OS/c1-6-11(19)17-13-10(8-16)9-7-14(2,3)18-15(4,5)12(9)20-13/h18H,6-7H2,1-5H3,(H,17,19)
InChIKeyICFBHTIDTNFING-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.13
Rot. Bonds2

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

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide (PubChem CID 741871) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide
PubChem CID741871
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C
InChIInChI=1S/C15H21N3OS/c1-6-11(19)17-13-10(8-16)9-7-14(2,3)18-15(4,5)12(9)20-13/h18H,6-7H2,1-5H3,(H,17,19)
InChIKeyICFBHTIDTNFING-UHFFFAOYSA-N
XLogP3.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)propanamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide (CID 741871) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide is CCC(=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)propanamide?
The InChIKey is ICFBHTIDTNFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-6-11(19)17-13-10(8-16)9-7-14(2,3)18-15(4,5)12(9)20-13/h18H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)propanamide has a molecular weight of 291.42 g/mol, XLogP of 3.13, 2 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)propanamide is sourced from PubChem (CID 741871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).