(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile

C14H17N3O2 — CID 126442029

IUPAC(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)cn1C
InChIInChI=1S/C14H17N3O2/c1-10-6-13(18)12(9-16(10)2)14(19)17-5-3-4-11(7-15)8-17/h6,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyLLYINVCTMZZODQ-LLVKDONJSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds1

About (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile

(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile (PubChem CID 126442029) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile
PubChem CID126442029
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)cn1C
InChIInChI=1S/C14H17N3O2/c1-10-6-13(18)12(9-16(10)2)14(19)17-5-3-4-11(7-15)8-17/h6,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyLLYINVCTMZZODQ-LLVKDONJSA-N
XLogP1.07
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile (CID 126442029) is (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile is Cc1cc(=O)c(C(=O)N2CCC[C@H](C#N)C2)cn1C.
What is the InChIKey of (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile?
The InChIKey is LLYINVCTMZZODQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-6-13(18)12(9-16(10)2)14(19)17-5-3-4-11(7-15)8-17/h6,9,11H,3-5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile?
(3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 126442029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).