5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 81439101

IUPAC5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)cc1N)C1CCCC1
InChIInChI=1S/C13H19N3O2/c1-2-16(10-5-3-4-6-10)12-11(14)7-9(8-15-12)13(17)18/h7-8,10H,2-6,14H2,1H3,(H,17,18)
InChIKeyAPEWWOXQKJVTPX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds4

About 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid

5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439101) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
PubChem CID81439101
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)cc1N)C1CCCC1
InChIInChI=1S/C13H19N3O2/c1-2-16(10-5-3-4-6-10)12-11(14)7-9(8-15-12)13(17)18/h7-8,10H,2-6,14H2,1H3,(H,17,18)
InChIKeyAPEWWOXQKJVTPX-UHFFFAOYSA-N
XLogP2.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid (CID 81439101) is 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid is CCN(c1ncc(C(=O)O)cc1N)C1CCCC1.
What is the InChIKey of 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is APEWWOXQKJVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16(10-5-3-4-6-10)12-11(14)7-9(8-15-12)13(17)18/h7-8,10H,2-6,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).