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

C16H15N3OS — CID 19224269

IUPACN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccccn3)c2C#N)C1
InChIInChI=1S/C16H15N3OS/c1-10-5-6-11-12(9-17)16(21-14(11)8-10)19-15(20)13-4-2-3-7-18-13/h2-4,7,10H,5-6,8H2,1H3,(H,19,20)
InChIKeyKNBRIPDTFMETQJ-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-2-carboxamide

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide (PubChem CID 19224269) 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-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide
PubChem CID19224269
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-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3ccccn3)c2C#N)C1
InChIInChI=1S/C16H15N3OS/c1-10-5-6-11-12(9-17)16(21-14(11)8-10)19-15(20)13-4-2-3-7-18-13/h2-4,7,10H,5-6,8H2,1H3,(H,19,20)
InChIKeyKNBRIPDTFMETQJ-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-2-carboxamide?
The IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide (CID 19224269) is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide is CC1CCc2c(sc(NC(=O)c3ccccn3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide?
The InChIKey is KNBRIPDTFMETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-5-6-11-12(9-17)16(21-14(11)8-10)19-15(20)13-4-2-3-7-18-13/h2-4,7,10H,5-6,8H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-carboxamide?
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 19224269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).