6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C15H19N5O — CID 64588388

IUPAC6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H19N5O/c16-11-12-3-1-5-14(18-12)20-8-2-4-13(20)15(21)19-9-6-17-7-10-19/h1,3,5,13,17H,2,4,6-10H2
InChIKeyRFKHFDNAJQYBPM-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.35
Rot. Bonds2

About 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 64588388) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID64588388
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H19N5O/c16-11-12-3-1-5-14(18-12)20-8-2-4-13(20)15(21)19-9-6-17-7-10-19/h1,3,5,13,17H,2,4,6-10H2
InChIKeyRFKHFDNAJQYBPM-UHFFFAOYSA-N
XLogP0.35
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 64588388) is 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCCC2C(=O)N2CCNCC2)n1.
What is the InChIKey of 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RFKHFDNAJQYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-11-12-3-1-5-14(18-12)20-8-2-4-13(20)15(21)19-9-6-17-7-10-19/h1,3,5,13,17H,2,4,6-10H2.
What are the key properties of 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 64588388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).