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

C12H12BrN3OS — CID 115273887

IUPACN-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Br)s1)c1ccc(N)cn1
InChIInChI=1S/C12H12BrN3OS/c1-2-16(11-6-3-8(14)7-15-11)12(17)9-4-5-10(13)18-9/h3-7H,2,14H2,1H3
InChIKeySAASYLQPBKBZEL-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.15
Rot. Bonds3

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

N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide (PubChem CID 115273887) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide
PubChem CID115273887
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Br)s1)c1ccc(N)cn1
InChIInChI=1S/C12H12BrN3OS/c1-2-16(11-6-3-8(14)7-15-11)12(17)9-4-5-10(13)18-9/h3-7H,2,14H2,1H3
InChIKeySAASYLQPBKBZEL-UHFFFAOYSA-N
XLogP3.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54255048
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5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
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CID 60653697
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976
2-N-ethyl-2-N-methylpyridine-2,5-diamine
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N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
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1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide (CID 115273887) is N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(Br)s1)c1ccc(N)cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide?
The InChIKey is SAASYLQPBKBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-2-16(11-6-3-8(14)7-15-11)12(17)9-4-5-10(13)18-9/h3-7H,2,14H2,1H3.
What are the key properties of N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide?
N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 115273887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).