N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide

C14H17N3O2S — CID 4647918

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C#N)C1
InChIInChI=1S/C14H17N3O2S/c1-8(2)13(19)16-14-11(6-15)10-4-5-17(9(3)18)7-12(10)20-14/h8H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyBCHWMQLLQRLGPG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds2

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide (PubChem CID 4647918) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide
PubChem CID4647918
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C#N)C1
InChIInChI=1S/C14H17N3O2S/c1-8(2)13(19)16-14-11(6-15)10-4-5-17(9(3)18)7-12(10)20-14/h8H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyBCHWMQLLQRLGPG-UHFFFAOYSA-N
XLogP2.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide (CID 4647918) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide is CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C#N)C1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide?
The InChIKey is BCHWMQLLQRLGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)13(19)16-14-11(6-15)10-4-5-17(9(3)18)7-12(10)20-14/h8H,4-5,7H2,1-3H3,(H,16,19).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 4647918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).