N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide

C15H11ClN2OS — CID 103745253

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3ccccc23)cnc1Cl
InChIInChI=1S/C15H11ClN2OS/c1-9-6-10(7-17-14(9)16)18-15(19)12-8-20-13-5-3-2-4-11(12)13/h2-8H,1H3,(H,18,19)
InChIKeyYXYNSVRTEIIXDD-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide (PubChem CID 103745253) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
PubChem CID103745253
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3ccccc23)cnc1Cl
InChIInChI=1S/C15H11ClN2OS/c1-9-6-10(7-17-14(9)16)18-15(19)12-8-20-13-5-3-2-4-11(12)13/h2-8H,1H3,(H,18,19)
InChIKeyYXYNSVRTEIIXDD-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
N-(6-chloro-5-methyl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 113253464
N-(6-chloro-5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103745233
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
CID 55012552
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide (CID 103745253) is N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide is Cc1cc(NC(=O)c2csc3ccccc23)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide?
The InChIKey is YXYNSVRTEIIXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-6-10(7-17-14(9)16)18-15(19)12-8-20-13-5-3-2-4-11(12)13/h2-8H,1H3,(H,18,19).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 103745253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).