5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide

C11H14BrN3O — CID 107422979

IUPAC5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Br)cn2)CCNC1
InChIInChI=1S/C11H14BrN3O/c1-11(4-5-13-7-11)15-10(16)9-3-2-8(12)6-14-9/h2-3,6,13H,4-5,7H2,1H3,(H,15,16)
InChIKeyATIUSGGLPPMDDG-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.33
Rot. Bonds2

About 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide

5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 107422979) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID107422979
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Br)cn2)CCNC1
InChIInChI=1S/C11H14BrN3O/c1-11(4-5-13-7-11)15-10(16)9-3-2-8(12)6-14-9/h2-3,6,13H,4-5,7H2,1H3,(H,15,16)
InChIKeyATIUSGGLPPMDDG-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide (CID 107422979) is 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide is CC1(NC(=O)c2ccc(Br)cn2)CCNC1.
What is the InChIKey of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is ATIUSGGLPPMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-11(4-5-13-7-11)15-10(16)9-3-2-8(12)6-14-9/h2-3,6,13H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107422979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).