5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

C11H14BrN3O — CID 80564437

IUPAC5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCNC1)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O/c12-10-3-9(6-14-7-10)11(16)15-5-8-1-2-13-4-8/h3,6-8,13H,1-2,4-5H2,(H,15,16)
InChIKeyGRMRPIKOCHVOOD-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.18
Rot. Bonds3

About 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 80564437) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID80564437
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCNC1)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O/c12-10-3-9(6-14-7-10)11(16)15-5-8-1-2-13-4-8/h3,6-8,13H,1-2,4-5H2,(H,15,16)
InChIKeyGRMRPIKOCHVOOD-UHFFFAOYSA-N
XLogP1.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (CID 80564437) is 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCNC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GRMRPIKOCHVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-10-3-9(6-14-7-10)11(16)15-5-8-1-2-13-4-8/h3,6-8,13H,1-2,4-5H2,(H,15,16).
What are the key properties of 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 80564437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).