6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C17H24N4O — CID 47054697

IUPAC6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1
InChIInChI=1S/C17H24N4O/c1-3-14(4-2)17(22)21-9-7-15(8-10-21)20-16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyMVHFOOBRPLREIR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.79
Rot. Bonds5

About 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 47054697) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID47054697
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1
InChIInChI=1S/C17H24N4O/c1-3-14(4-2)17(22)21-9-7-15(8-10-21)20-16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyMVHFOOBRPLREIR-UHFFFAOYSA-N
XLogP2.79
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-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 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 47054697) is 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is CCC(CC)C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is MVHFOOBRPLREIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-14(4-2)17(22)21-9-7-15(8-10-21)20-16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,3-4,7-10H2,1-2H3,(H,19,20).
What are the key properties of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 47054697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).