N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide

C13H15BrN2O2 — CID 167821213

IUPACN-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide
SMILESCc1c(Br)cn(C)c(=O)c1NC(=O)C1=CCCC1
InChIInChI=1S/C13H15BrN2O2/c1-8-10(14)7-16(2)13(18)11(8)15-12(17)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyAVMZCSKAQJPLSO-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.51
Rot. Bonds2

About N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide

N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide (PubChem CID 167821213) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide
PubChem CID167821213
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide
SMILESCc1c(Br)cn(C)c(=O)c1NC(=O)C1=CCCC1
InChIInChI=1S/C13H15BrN2O2/c1-8-10(14)7-16(2)13(18)11(8)15-12(17)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyAVMZCSKAQJPLSO-UHFFFAOYSA-N
XLogP2.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide?
The IUPAC name of N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide (CID 167821213) is N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide?
The canonical SMILES for N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide is Cc1c(Br)cn(C)c(=O)c1NC(=O)C1=CCCC1.
What is the InChIKey of N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide?
The InChIKey is AVMZCSKAQJPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-10(14)7-16(2)13(18)11(8)15-12(17)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide?
N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 167821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).