6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid

C15H24N2O2 — CID 79489836

IUPAC6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(9-16-14)15(18)19/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyTXYXLQSZADFZGH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.43
Rot. Bonds7

About 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid

6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 79489836) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID79489836
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(9-16-14)15(18)19/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyTXYXLQSZADFZGH-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid (CID 79489836) is 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid is CCC(CC)N(CC(C)C)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is TXYXLQSZADFZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(9-16-14)15(18)19/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19).
What are the key properties of 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid?
6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79489836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).