5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C13H18BrN3O — CID 61242484

IUPAC5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O/c1-2-17-4-3-10(9-17)6-16-13(18)11-5-12(14)8-15-7-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,16,18)
InChIKeyOASUXJJDCKLJAA-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.92
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 61242484) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID61242484
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O/c1-2-17-4-3-10(9-17)6-16-13(18)11-5-12(14)8-15-7-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,16,18)
InChIKeyOASUXJJDCKLJAA-UHFFFAOYSA-N
XLogP1.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62237445
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
(5-bromo-3-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119541646
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 61242484) is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is CCN1CCC(CNC(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OASUXJJDCKLJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-17-4-3-10(9-17)6-16-13(18)11-5-12(14)8-15-7-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 61242484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).