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

C12H15N3O2 — CID 64590334

IUPAC2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1cccc(C#N)n1)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-3-7-12(2,11(16)17)15-10-6-4-5-9(8-13)14-10/h4-6H,3,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMEFKVKHBEOPEET-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds5

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

2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid (PubChem CID 64590334) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid
PubChem CID64590334
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1cccc(C#N)n1)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-3-7-12(2,11(16)17)15-10-6-4-5-9(8-13)14-10/h4-6H,3,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMEFKVKHBEOPEET-UHFFFAOYSA-N
XLogP2.01
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid (CID 64590334) is 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1cccc(C#N)n1)C(=O)O.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid?
The InChIKey is MEFKVKHBEOPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-7-12(2,11(16)17)15-10-6-4-5-9(8-13)14-10/h4-6H,3,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid?
2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64590334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).