6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile

C16H20N4O — CID 63717900

IUPAC6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C16H20N4O/c17-10-13-4-5-15(18-11-13)16(21)20-9-6-14(12-20)19-7-2-1-3-8-19/h4-5,11,14H,1-3,6-9,12H2
InChIKeyCNLUEBJWYQZGPU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.65
Rot. Bonds2

About 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile

6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 63717900) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID63717900
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C16H20N4O/c17-10-13-4-5-15(18-11-13)16(21)20-9-6-14(12-20)19-7-2-1-3-8-19/h4-5,11,14H,1-3,6-9,12H2
InChIKeyCNLUEBJWYQZGPU-UHFFFAOYSA-N
XLogP1.65
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile (CID 63717900) is 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile is N#Cc1ccc(C(=O)N2CCC(N3CCCCC3)C2)nc1.
What is the InChIKey of 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is CNLUEBJWYQZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-10-13-4-5-15(18-11-13)16(21)20-9-6-14(12-20)19-7-2-1-3-8-19/h4-5,11,14H,1-3,6-9,12H2.
What are the key properties of 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 63717900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).