N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H13BrN2O — CID 130164401

IUPACN-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-11(2)4-9(11)10(15)14-8-3-7(12)5-13-6-8/h3,5-6,9H,4H2,1-2H3,(H,14,15)
InChIKeyLSSKZXWPRYBERX-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.83
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 130164401) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID130164401
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-11(2)4-9(11)10(15)14-8-3-7(12)5-13-6-8/h3,5-6,9H,4H2,1-2H3,(H,14,15)
InChIKeyLSSKZXWPRYBERX-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
5-[(5-bromo-3-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114222657
N-(5-bromo-3-pyridinyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114223341
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide
CID 130164423
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
tert-butyl (2S)-2-[(5-bromo-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155715861

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 130164401) is N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cncc(Br)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is LSSKZXWPRYBERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-11(2)4-9(11)10(15)14-8-3-7(12)5-13-6-8/h3,5-6,9H,4H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130164401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).