5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid

C12H15N3O2 — CID 82684140

IUPAC5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1cccc(C#N)n1
InChIInChI=1S/C12H15N3O2/c1-9(5-6-12(16)17)8-14-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyJSJUWGGEJDENAG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.87
Rot. Bonds6

About 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid

5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 82684140) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID82684140
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNc1cccc(C#N)n1
InChIInChI=1S/C12H15N3O2/c1-9(5-6-12(16)17)8-14-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyJSJUWGGEJDENAG-UHFFFAOYSA-N
XLogP1.87
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid (CID 82684140) is 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNc1cccc(C#N)n1.
What is the InChIKey of 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is JSJUWGGEJDENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(5-6-12(16)17)8-14-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid?
5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82684140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).