5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid

C11H16BrN3O2 — CID 62634793

IUPAC5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
SMILESCCN(C)CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H16BrN3O2/c1-3-15(2)5-4-13-10-9(11(16)17)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyIYLPFCDFZCBFKR-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.91
Rot. Bonds6

About 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid

5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid (PubChem CID 62634793) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
PubChem CID62634793
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
SMILESCCN(C)CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H16BrN3O2/c1-3-15(2)5-4-13-10-9(11(16)17)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyIYLPFCDFZCBFKR-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
4-bromo-2-[2-[ethyl(methyl)amino]ethylamino]benzoic acid
CID 114907266
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
CID 62710303
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid (CID 62634793) is 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid is CCN(C)CCNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid?
The InChIKey is IYLPFCDFZCBFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-15(2)5-4-13-10-9(11(16)17)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid?
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid has a molecular weight of 302.17 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62634793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).