5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid

C13H18BrN3O2 — CID 62000578

IUPAC5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCN(c1ncc(Br)cc1C(=O)O)C1CCNCC1
InChIInChI=1S/C13H18BrN3O2/c1-2-17(10-3-5-15-6-4-10)12-11(13(18)19)7-9(14)8-16-12/h7-8,10,15H,2-6H2,1H3,(H,18,19)
InChIKeyDRXYSAMFSJIUNN-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.12
Rot. Bonds4

About 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid

5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 62000578) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID62000578
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCN(c1ncc(Br)cc1C(=O)O)C1CCNCC1
InChIInChI=1S/C13H18BrN3O2/c1-2-17(10-3-5-15-6-4-10)12-11(13(18)19)7-9(14)8-16-12/h7-8,10,15H,2-6H2,1H3,(H,18,19)
InChIKeyDRXYSAMFSJIUNN-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid (CID 62000578) is 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid is CCN(c1ncc(Br)cc1C(=O)O)C1CCNCC1.
What is the InChIKey of 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is DRXYSAMFSJIUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-2-17(10-3-5-15-6-4-10)12-11(13(18)19)7-9(14)8-16-12/h7-8,10,15H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 328.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).