N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide

C15H12N2OS — CID 25343168

IUPACN-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESCc1cccnc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c1-10-5-4-8-16-14(10)17-15(18)12-9-19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,16,17,18)
InChIKeyUEPPKIOYRVPPKD-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide (PubChem CID 25343168) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
PubChem CID25343168
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESCc1cccnc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c1-10-5-4-8-16-14(10)17-15(18)12-9-19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,16,17,18)
InChIKeyUEPPKIOYRVPPKD-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide (CID 25343168) is N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide is Cc1cccnc1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The InChIKey is UEPPKIOYRVPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-5-4-8-16-14(10)17-15(18)12-9-19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 25343168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).