2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile

C12H15N3O — CID 136582868

IUPAC2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC(C)(O)C2)n1
InChIInChI=1S/C12H15N3O/c1-8-3-4-9(7-13)11(14-8)15-10-5-12(2,16)6-10/h3-4,10,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyMCVNANRBLNXLKZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds2

About 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile

2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 136582868) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID136582868
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC(C)(O)C2)n1
InChIInChI=1S/C12H15N3O/c1-8-3-4-9(7-13)11(14-8)15-10-5-12(2,16)6-10/h3-4,10,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyMCVNANRBLNXLKZ-UHFFFAOYSA-N
XLogP1.59
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile (CID 136582868) is 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2CC(C)(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is MCVNANRBLNXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-4-9(7-13)11(14-8)15-10-5-12(2,16)6-10/h3-4,10,16H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile?
2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylcyclobutyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 136582868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).