N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide

C16H15N3OS — CID 2790253

IUPACN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccncc3)c2C#N)C1
InChIInChI=1S/C16H15N3OS/c1-10-2-3-12-13(9-17)16(21-14(12)8-10)19-15(20)11-4-6-18-7-5-11/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyOGWCAFXUNVAWAR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.39
Rot. Bonds2

About N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide (PubChem CID 2790253) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
PubChem CID2790253
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccncc3)c2C#N)C1
InChIInChI=1S/C16H15N3OS/c1-10-2-3-12-13(9-17)16(21-14(12)8-10)19-15(20)11-4-6-18-7-5-11/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyOGWCAFXUNVAWAR-UHFFFAOYSA-N
XLogP3.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide (CID 2790253) is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide is CC1CCc2c(sc(NC(=O)c3ccncc3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The InChIKey is OGWCAFXUNVAWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-2-3-12-13(9-17)16(21-14(12)8-10)19-15(20)11-4-6-18-7-5-11/h4-7,10H,2-3,8H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 2790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).