1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C12H16N2O2 — CID 18692798

IUPAC1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CC(C)(C)C)c(O)c1C#N
InChIInChI=1S/C12H16N2O2/c1-8-5-10(15)14(7-12(2,3)4)11(16)9(8)6-13/h5,16H,7H2,1-4H3
InChIKeyBVJOORDACACEFU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.78
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 18692798) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID18692798
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CC(C)(C)C)c(O)c1C#N
InChIInChI=1S/C12H16N2O2/c1-8-5-10(15)14(7-12(2,3)4)11(16)9(8)6-13/h5,16H,7H2,1-4H3
InChIKeyBVJOORDACACEFU-UHFFFAOYSA-N
XLogP1.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 18692798) is 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(CC(C)(C)C)c(O)c1C#N.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is BVJOORDACACEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-10(15)14(7-12(2,3)4)11(16)9(8)6-13/h5,16H,7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 18692798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).