N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide

C12H15BrN2O — CID 103789447

IUPACN-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)nc2)CCCC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)11(16)15-9-4-5-10(13)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyDJENBWKINWTGJM-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.36
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide

N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 103789447) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
PubChem CID103789447
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)nc2)CCCC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)11(16)15-9-4-5-10(13)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyDJENBWKINWTGJM-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide (CID 103789447) is N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2ccc(Br)nc2)CCCC1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is DJENBWKINWTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)11(16)15-9-4-5-10(13)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide?
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 103789447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).