2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

C15H19N5O — CID 119112234

IUPAC2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1
InChIInChI=1S/C15H19N5O/c16-11-12-3-5-18-14(10-12)19-6-8-20(9-7-19)15(21)13-2-1-4-17-13/h3,5,10,13,17H,1-2,4,6-9H2
InChIKeyJXSDJAOAROUIGU-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.35
Rot. Bonds2

About 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 119112234) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID119112234
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1
InChIInChI=1S/C15H19N5O/c16-11-12-3-5-18-14(10-12)19-6-8-20(9-7-19)15(21)13-2-1-4-17-13/h3,5,10,13,17H,1-2,4,6-9H2
InChIKeyJXSDJAOAROUIGU-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 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 119112234) is 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1.
What is the InChIKey of 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is JXSDJAOAROUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-11-12-3-5-18-14(10-12)19-6-8-20(9-7-19)15(21)13-2-1-4-17-13/h3,5,10,13,17H,1-2,4,6-9H2.
What are the key properties of 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-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 2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 119112234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).