3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide

C11H14BrN3O — CID 107520198

IUPAC3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCNC1)c1ncccc1Br
InChIInChI=1S/C11H14BrN3O/c12-9-2-1-4-14-10(9)11(16)15-7-8-3-5-13-6-8/h1-2,4,8,13H,3,5-7H2,(H,15,16)
InChIKeyWGNZVEVGIVAPNA-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.18
Rot. Bonds3

About 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide

3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 107520198) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID107520198
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCNC1)c1ncccc1Br
InChIInChI=1S/C11H14BrN3O/c12-9-2-1-4-14-10(9)11(16)15-7-8-3-5-13-6-8/h1-2,4,8,13H,3,5-7H2,(H,15,16)
InChIKeyWGNZVEVGIVAPNA-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

2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 107520178
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide (CID 107520198) is 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCNC1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is WGNZVEVGIVAPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-9-2-1-4-14-10(9)11(16)15-7-8-3-5-13-6-8/h1-2,4,8,13H,3,5-7H2,(H,15,16).
What are the key properties of 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-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 3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).