(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

C20H19N5O — CID 53149744

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)nc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19N5O/c26-20(17-6-7-18(23-15-17)16-4-3-8-21-14-16)25-12-10-24(11-13-25)19-5-1-2-9-22-19/h1-9,14-15H,10-13H2
InChIKeyARNUOYAYZGJCCD-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.50
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (PubChem CID 53149744) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
PubChem CID53149744
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)nc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19N5O/c26-20(17-6-7-18(23-15-17)16-4-3-8-21-14-16)25-12-10-24(11-13-25)19-5-1-2-9-22-19/h1-9,14-15H,10-13H2
InChIKeyARNUOYAYZGJCCD-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (CID 53149744) is (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2cccnc2)nc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The InChIKey is ARNUOYAYZGJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(17-6-7-18(23-15-17)16-4-3-8-21-14-16)25-12-10-24(11-13-25)19-5-1-2-9-22-19/h1-9,14-15H,10-13H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
(4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone has a molecular weight of 345.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53149744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).