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

C15H13N3OS — CID 723167

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cccnc2)sc2c1CCCC2
InChIInChI=1S/C15H13N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9H,1-2,5-6H2,(H,18,19)
InChIKeyQCIBKVBNSUGOKU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.15
Rot. Bonds2

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

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (PubChem CID 723167) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
PubChem CID723167
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cccnc2)sc2c1CCCC2
InChIInChI=1S/C15H13N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9H,1-2,5-6H2,(H,18,19)
InChIKeyQCIBKVBNSUGOKU-UHFFFAOYSA-N
XLogP3.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (CID 723167) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide is N#Cc1c(NC(=O)c2cccnc2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is QCIBKVBNSUGOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9H,1-2,5-6H2,(H,18,19).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 723167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).