N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide

C12H12BrN3O — CID 80501510

IUPACN-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C12H12BrN3O/c1-8-4-12(5-8,7-14)11(17)16-10-3-2-9(13)6-15-10/h2-3,6,8H,4-5H2,1H3,(H,15,16,17)
InChIKeyFONDSDRHLOOPTM-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.72
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide

N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 80501510) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID80501510
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C12H12BrN3O/c1-8-4-12(5-8,7-14)11(17)16-10-3-2-9(13)6-15-10/h2-3,6,8H,4-5H2,1H3,(H,15,16,17)
InChIKeyFONDSDRHLOOPTM-UHFFFAOYSA-N
XLogP2.72
TPSA65.78 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80593348
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
N-(3-bromo-4-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501438
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
1-cyano-3-methyl-N-quinolin-3-ylcyclobutane-1-carboxamide
CID 80502360
N-(2-bromo-4-cyanophenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 107790779
N-(5-bromo-2-pyridinyl)-2-cyano-3-hydroxybut-2-enamide
CID 67767763
(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 167527674
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
1-cyano-3-methyl-N-(2,4,6-trifluorophenyl)cyclobutane-1-carboxamide
CID 80592255
1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 113351969

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide (CID 80501510) is N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is FONDSDRHLOOPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-4-12(5-8,7-14)11(17)16-10-3-2-9(13)6-15-10/h2-3,6,8H,4-5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).