2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

C14H19N3O — CID 72911674

IUPAC2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(C)(C)[C@@](C)(O)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-5-6-11(7-15)12(16-10)17-8-13(2,3)14(4,18)9-17/h5-6,18H,8-9H2,1-4H3/t14-/m0/s1
InChIKeyVUQSTNDSEIMQMX-AWEZNQCLSA-N
MW245.33 g/mol
LogP1.86
Rot. Bonds1

About 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 72911674) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID72911674
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(C)(C)[C@@](C)(O)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-5-6-11(7-15)12(16-10)17-8-13(2,3)14(4,18)9-17/h5-6,18H,8-9H2,1-4H3/t14-/m0/s1
InChIKeyVUQSTNDSEIMQMX-AWEZNQCLSA-N
XLogP1.86
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 72911674) is 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC(C)(C)[C@@](C)(O)C2)n1.
What is the InChIKey of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is VUQSTNDSEIMQMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-6-11(7-15)12(16-10)17-8-13(2,3)14(4,18)9-17/h5-6,18H,8-9H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 72911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).