N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide

C11H9Br2N3OS — CID 80537120

IUPACN-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(Br)s2)ncc1N
InChIInChI=1S/C11H9Br2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)8-3-6(12)10(13)18-8/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyCYEKDZXDIPJAQR-UHFFFAOYSA-N
MW391.09 g/mol
LogP3.81
Rot. Bonds2

About N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide

N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 80537120) has the molecular formula C11H9Br2N3OS and a molecular weight of 391.09 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID80537120
Molecular FormulaC11H9Br2N3OS
Molecular Weight391.09 g/mol
Exact Mass388.88
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(Br)s2)ncc1N
InChIInChI=1S/C11H9Br2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)8-3-6(12)10(13)18-8/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyCYEKDZXDIPJAQR-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 114050470
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426
N-(5-amino-4-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 61293151
4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 78931923
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide (CID 80537120) is N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(Br)c(Br)s2)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is CYEKDZXDIPJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)8-3-6(12)10(13)18-8/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide?
N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 391.09 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 80537120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).