N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide

C11H7Cl2IN2OS — CID 79692769

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc(I)c2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2IN2OS/c1-5-7(12)3-8(13)10(15-5)16-11(17)6-2-9(14)18-4-6/h2-4H,1H3,(H,15,16,17)
InChIKeyDARDEYZPTOYJOL-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.62
Rot. Bonds2

About N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide

N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide (PubChem CID 79692769) has the molecular formula C11H7Cl2IN2OS and a molecular weight of 413.07 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
PubChem CID79692769
Molecular FormulaC11H7Cl2IN2OS
Molecular Weight413.07 g/mol
Exact Mass411.87
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc(I)c2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2IN2OS/c1-5-7(12)3-8(13)10(15-5)16-11(17)6-2-9(14)18-4-6/h2-4H,1H3,(H,15,16,17)
InChIKeyDARDEYZPTOYJOL-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.62
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

6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 60704914
4-bromo-3-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)benzamide
CID 81307974
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79116772
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738916
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide
CID 130857020
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide (CID 79692769) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide is Cc1nc(NC(=O)c2csc(I)c2)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The InChIKey is DARDEYZPTOYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2OS/c1-5-7(12)3-8(13)10(15-5)16-11(17)6-2-9(14)18-4-6/h2-4H,1H3,(H,15,16,17).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide has a molecular weight of 413.07 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79692769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).