5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid

C11H16BrN3O2 — CID 62000794

IUPAC5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ncc(Br)cc1C(=O)O)N(C)C
InChIInChI=1S/C11H16BrN3O2/c1-7(15(2)3)5-13-10-9(11(16)17)4-8(12)6-14-10/h4,6-7H,5H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyBRMWSWQWPIVUFJ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.90
Rot. Bonds5

About 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid

5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid (PubChem CID 62000794) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
PubChem CID62000794
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ncc(Br)cc1C(=O)O)N(C)C
InChIInChI=1S/C11H16BrN3O2/c1-7(15(2)3)5-13-10-9(11(16)17)4-8(12)6-14-10/h4,6-7H,5H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyBRMWSWQWPIVUFJ-UHFFFAOYSA-N
XLogP1.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114154303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid (CID 62000794) is 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid is CC(CNc1ncc(Br)cc1C(=O)O)N(C)C.
What is the InChIKey of 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid?
The InChIKey is BRMWSWQWPIVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(15(2)3)5-13-10-9(11(16)17)4-8(12)6-14-10/h4,6-7H,5H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid?
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid has a molecular weight of 302.17 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).