3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C19H22N6O — CID 70775377

IUPAC3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCN(Cc4ncccc4C)CC3)nc2)n1
InChIInChI=1S/C19H22N6O/c1-14-4-3-7-20-17(14)13-24-8-10-25(11-9-24)18-6-5-16(12-21-18)19-22-15(2)23-26-19/h3-7,12H,8-11,13H2,1-2H3
InChIKeyQRVMJDIJRHNOFO-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.47
Rot. Bonds4

About 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 70775377) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID70775377
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCN(Cc4ncccc4C)CC3)nc2)n1
InChIInChI=1S/C19H22N6O/c1-14-4-3-7-20-17(14)13-24-8-10-25(11-9-24)18-6-5-16(12-21-18)19-22-15(2)23-26-19/h3-7,12H,8-11,13H2,1-2H3
InChIKeyQRVMJDIJRHNOFO-UHFFFAOYSA-N
XLogP2.47
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 70775377) is 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccc(N3CCN(Cc4ncccc4C)CC3)nc2)n1.
What is the InChIKey of 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is QRVMJDIJRHNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-4-3-7-20-17(14)13-24-8-10-25(11-9-24)18-6-5-16(12-21-18)19-22-15(2)23-26-19/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 350.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70775377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).