5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide

C12H12BrN3O — CID 79107296

IUPAC5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-9(2)16(8)15-12(17)11-6-5-10(13)7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyNHWZQYWZZZCLIE-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.65
Rot. Bonds2

About 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide

5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide (PubChem CID 79107296) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
PubChem CID79107296
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-9(2)16(8)15-12(17)11-6-5-10(13)7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyNHWZQYWZZZCLIE-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
CID 79107190
5-bromo-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 86031906
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
methyl 5-bromopyridine-2-carboxylate
CID 7016458
3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 107519128
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide (CID 79107296) is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide is Cc1ccc(C)n1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The InChIKey is NHWZQYWZZZCLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-3-4-9(2)16(8)15-12(17)11-6-5-10(13)7-14-11/h3-7H,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 79107296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).