2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H20N4O — CID 166602458

IUPAC2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H20N4O/c17-11-13-5-4-7-18-15(13)20-10-6-14(12-20)16(21)19-8-2-1-3-9-19/h4-5,7,14H,1-3,6,8-10,12H2
InChIKeyRJHAWVKKFQKZDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.79
Rot. Bonds2

About 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 166602458) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID166602458
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H20N4O/c17-11-13-5-4-7-18-15(13)20-10-6-14(12-20)16(21)19-8-2-1-3-9-19/h4-5,7,14H,1-3,6,8-10,12H2
InChIKeyRJHAWVKKFQKZDD-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 166602458) is 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RJHAWVKKFQKZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-11-13-5-4-7-18-15(13)20-10-6-14(12-20)16(21)19-8-2-1-3-9-19/h4-5,7,14H,1-3,6,8-10,12H2.
What are the key properties of 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166602458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).