6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide

C13H19N5O — CID 66197754

IUPAC6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C13H19N5O/c14-13(19)11-2-1-3-12(16-11)18-8-10(9-18)17-6-4-15-5-7-17/h1-3,10,15H,4-9H2,(H2,14,19)
InChIKeyROLVXSHGXPEDMB-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.73
Rot. Bonds3

About 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide

6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 66197754) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
PubChem CID66197754
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C13H19N5O/c14-13(19)11-2-1-3-12(16-11)18-8-10(9-18)17-6-4-15-5-7-17/h1-3,10,15H,4-9H2,(H2,14,19)
InChIKeyROLVXSHGXPEDMB-UHFFFAOYSA-N
XLogP-0.73
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide (CID 66197754) is 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide is NC(=O)c1cccc(N2CC(N3CCNCC3)C2)n1.
What is the InChIKey of 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is ROLVXSHGXPEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-13(19)11-2-1-3-12(16-11)18-8-10(9-18)17-6-4-15-5-7-17/h1-3,10,15H,4-9H2,(H2,14,19).
What are the key properties of 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide?
6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66197754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).