N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide

C13H14BrN3O — CID 71987346

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C#N)CCCC2)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-9-10(14)4-5-11(16-9)17-12(18)13(8-15)6-2-3-7-13/h4-5H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyYCCAUXIRFVDIRC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 71987346) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID71987346
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C#N)CCCC2)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-9-10(14)4-5-11(16-9)17-12(18)13(8-15)6-2-3-7-13/h4-5H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyYCCAUXIRFVDIRC-UHFFFAOYSA-N
XLogP3.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
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
N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
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N-(5-bromo-6-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 79041182
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 114251204
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide (CID 71987346) is N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide is Cc1nc(NC(=O)C2(C#N)CCCC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is YCCAUXIRFVDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-10(14)4-5-11(16-9)17-12(18)13(8-15)6-2-3-7-13/h4-5H,2-3,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 71987346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).