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

C12H11BrN2OS — CID 103819469

IUPACN-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrN2OS/c1-2-8-5-7-17-10(8)12(16)15-9-4-3-6-14-11(9)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyBHBKNOPNJOIMAR-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.72
Rot. Bonds3

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

N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide (PubChem CID 103819469) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
PubChem CID103819469
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrN2OS/c1-2-8-5-7-17-10(8)12(16)15-9-4-3-6-14-11(9)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyBHBKNOPNJOIMAR-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

N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide (CID 103819469) is N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is BHBKNOPNJOIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-2-8-5-7-17-10(8)12(16)15-9-4-3-6-14-11(9)13/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide?
N-(2-bromo-3-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-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103819469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).