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

C12H12BrN3O — CID 107519128

IUPAC3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ncccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-5-6-9(2)16(8)15-12(17)11-10(13)4-3-7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyQDHPVXRKVUEPMQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.65
Rot. Bonds2

About 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide

3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide (PubChem CID 107519128) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
PubChem CID107519128
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1ncccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-5-6-9(2)16(8)15-12(17)11-10(13)4-3-7-14-11/h3-7H,1-2H3,(H,15,17)
InChIKeyQDHPVXRKVUEPMQ-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

3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518059

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide (CID 107519128) is 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide is Cc1ccc(C)n1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
The InChIKey is QDHPVXRKVUEPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-5-6-9(2)16(8)15-12(17)11-10(13)4-3-7-14-11/h3-7H,1-2H3,(H,15,17).
What are the key properties of 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide?
3-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 3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).