N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide

C12H11N3OS — CID 114028602

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
SMILESC#CCC(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C12H11N3OS/c1-2-3-11(16)15-12-9(6-13)8-4-5-14-7-10(8)17-12/h1,14H,3-5,7H2,(H,15,16)
InChIKeySOZOJMNYGXNSHV-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.23
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide (PubChem CID 114028602) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
PubChem CID114028602
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
SMILESC#CCC(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C12H11N3OS/c1-2-3-11(16)15-12-9(6-13)8-4-5-14-7-10(8)17-12/h1,14H,3-5,7H2,(H,15,16)
InChIKeySOZOJMNYGXNSHV-UHFFFAOYSA-N
XLogP1.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide with MolForge

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-3-ylacetamide
CID 62688841
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
CID 43599763
3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 68634738
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 43599690
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636774
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636771
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide (CID 114028602) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide is C#CCC(=O)Nc1sc2c(c1C#N)CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide?
The InChIKey is SOZOJMNYGXNSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-3-11(16)15-12-9(6-13)8-4-5-14-7-10(8)17-12/h1,14H,3-5,7H2,(H,15,16).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide has a molecular weight of 245.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide is sourced from PubChem (CID 114028602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).