N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide

C12H11BrN2OS — CID 47461837

IUPACN-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C12H11BrN2OS/c1-2-8-6-7-17-11(8)12(16)15-10-5-3-4-9(13)14-10/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyXMQLYWYLAXYILT-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.72
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide

N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide (PubChem CID 47461837) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
PubChem CID47461837
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C12H11BrN2OS/c1-2-8-6-7-17-11(8)12(16)15-10-5-3-4-9(13)14-10/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyXMQLYWYLAXYILT-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.72
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

6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55247579
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
CID 79975351
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640
N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 103819469
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47365942
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide (CID 47461837) is N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is XMQLYWYLAXYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-2-8-6-7-17-11(8)12(16)15-10-5-3-4-9(13)14-10/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47461837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).