5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide

C11H9IN2OS — CID 103738916

IUPAC5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cncc(NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C11H9IN2OS/c1-7-2-9(5-13-4-7)14-11(15)8-3-10(12)16-6-8/h2-6H,1H3,(H,14,15)
InChIKeyKJGFPXSWAKCDKH-UHFFFAOYSA-N
MW344.18 g/mol
LogP3.31
Rot. Bonds2

About 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide

5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 103738916) has the molecular formula C11H9IN2OS and a molecular weight of 344.18 g/mol. Its IUPAC name is 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID103738916
Molecular FormulaC11H9IN2OS
Molecular Weight344.18 g/mol
Exact Mass343.95
IUPAC Name5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cncc(NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C11H9IN2OS/c1-7-2-9(5-13-4-7)14-11(15)8-3-10(12)16-6-8/h2-6H,1H3,(H,14,15)
InChIKeyKJGFPXSWAKCDKH-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 107586704
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79116772

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide (CID 103738916) is 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide is Cc1cncc(NC(=O)c2csc(I)c2)c1.
What is the InChIKey of 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is KJGFPXSWAKCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2OS/c1-7-2-9(5-13-4-7)14-11(15)8-3-10(12)16-6-8/h2-6H,1H3,(H,14,15).
What are the key properties of 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 344.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 103738916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).