N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide

C13H13BrN2OS — CID 79841640

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2OS/c1-3-9-4-5-18-12(9)13(17)16-11-6-8(2)10(14)7-15-11/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyXIKQDOLDAIBJES-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.03
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79841640) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
PubChem CID79841640
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2OS/c1-3-9-4-5-18-12(9)13(17)16-11-6-8(2)10(14)7-15-11/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyXIKQDOLDAIBJES-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide
CID 114103071
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-[4-(dimethylamino)-3-methylphenyl]-3-ethylthiophene-2-carboxamide
CID 60566814

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide (CID 79841640) is N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is XIKQDOLDAIBJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-3-9-4-5-18-12(9)13(17)16-11-6-8(2)10(14)7-15-11/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79841640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).