N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide

C11H14BrN3O — CID 140776721

IUPACN-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(Br)n2)N1
InChIInChI=1S/C11H14BrN3O/c1-7-5-6-8(13-7)11(16)15-10-4-2-3-9(12)14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15,16)
InChIKeySYBKLOBZVXBGRD-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.92
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide

N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide (PubChem CID 140776721) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
PubChem CID140776721
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(Br)n2)N1
InChIInChI=1S/C11H14BrN3O/c1-7-5-6-8(13-7)11(16)15-10-4-2-3-9(12)14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15,16)
InChIKeySYBKLOBZVXBGRD-UHFFFAOYSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide (CID 140776721) is N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide is CC1CCC(C(=O)Nc2cccc(Br)n2)N1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide?
The InChIKey is SYBKLOBZVXBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-5-6-8(13-7)11(16)15-10-4-2-3-9(12)14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide?
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 140776721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).