N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide

C11H9ClN2OS — CID 115669462

IUPACN-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)n2)s1
InChIInChI=1S/C11H9ClN2OS/c1-7-5-6-8(16-7)11(15)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,15)
InChIKeyGQSZGSMDSNHHSQ-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide

N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide (PubChem CID 115669462) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
PubChem CID115669462
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)n2)s1
InChIInChI=1S/C11H9ClN2OS/c1-7-5-6-8(16-7)11(15)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,15)
InChIKeyGQSZGSMDSNHHSQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.36
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

N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
CID 115608643
N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
CID 115683223
N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103739832
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
3-[5-[(6-methyl-2-pyridinyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76906560
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide (CID 115669462) is N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)n2)s1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The InChIKey is GQSZGSMDSNHHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-5-6-8(16-7)11(15)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115669462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).