(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile

C14H17N3O2 — CID 126454483

IUPAC(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)c(C)[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-6-12(18)13(10(2)16-9)14(19)17-5-3-4-11(7-15)8-17/h6,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeySRGLERUFOPNZQV-LLVKDONJSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds1

About (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile

(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile (PubChem CID 126454483) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile
PubChem CID126454483
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)c(C)[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-6-12(18)13(10(2)16-9)14(19)17-5-3-4-11(7-15)8-17/h6,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeySRGLERUFOPNZQV-LLVKDONJSA-N
XLogP1.37
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile (CID 126454483) is (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile is Cc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)c(C)[nH]1.
What is the InChIKey of (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile?
The InChIKey is SRGLERUFOPNZQV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-12(18)13(10(2)16-9)14(19)17-5-3-4-11(7-15)8-17/h6,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile?
(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 126454483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).