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

C18H19N3OS — CID 2970449

IUPACN-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESCCCC1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1
InChIInChI=1S/C18H19N3OS/c1-2-4-12-6-7-14-15(10-19)18(23-16(14)9-12)21-17(22)13-5-3-8-20-11-13/h3,5,8,11-12H,2,4,6-7,9H2,1H3,(H,21,22)
InChIKeyUXDNCOJDPCRQCA-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.17
Rot. Bonds4

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

N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (PubChem CID 2970449) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
PubChem CID2970449
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESCCCC1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1
InChIInChI=1S/C18H19N3OS/c1-2-4-12-6-7-14-15(10-19)18(23-16(14)9-12)21-17(22)13-5-3-8-20-11-13/h3,5,8,11-12H,2,4,6-7,9H2,1H3,(H,21,22)
InChIKeyUXDNCOJDPCRQCA-UHFFFAOYSA-N
XLogP4.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.17
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-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (CID 2970449) is N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide is CCCC1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is UXDNCOJDPCRQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-4-12-6-7-14-15(10-19)18(23-16(14)9-12)21-17(22)13-5-3-8-20-11-13/h3,5,8,11-12H,2,4,6-7,9H2,1H3,(H,21,22).
What are the key properties of N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2970449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).