N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide

C12H12BrN3OS — CID 79985523

IUPACN-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C12H12BrN3OS/c1-2-7-3-4-18-10(7)12(17)16-11-9(13)5-8(14)6-15-11/h3-6H,2,14H2,1H3,(H,15,16,17)
InChIKeyVNZKXFBMMSSPEH-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.30
Rot. Bonds3

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

N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79985523) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
PubChem CID79985523
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C12H12BrN3OS/c1-2-7-3-4-18-10(7)12(17)16-11-9(13)5-8(14)6-15-11/h3-6H,2,14H2,1H3,(H,15,16,17)
InChIKeyVNZKXFBMMSSPEH-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 103819469
N-(5-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985119
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide (CID 79985523) is N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is VNZKXFBMMSSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-2-7-3-4-18-10(7)12(17)16-11-9(13)5-8(14)6-15-11/h3-6H,2,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79985523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).