6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide

C21H24N6O2 — CID 133342811

IUPAC6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(Cc4noc(C)n4)CC3)nc2)cc1
InChIInChI=1S/C21H24N6O2/c1-15-3-6-18(7-4-15)24-21(28)17-5-8-20(22-13-17)27-11-9-26(10-12-27)14-19-23-16(2)29-25-19/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)
InChIKeySWDCMLVYFGGVFO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.66
Rot. Bonds5

About 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133342811) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133342811
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(Cc4noc(C)n4)CC3)nc2)cc1
InChIInChI=1S/C21H24N6O2/c1-15-3-6-18(7-4-15)24-21(28)17-5-8-20(22-13-17)27-11-9-26(10-12-27)14-19-23-16(2)29-25-19/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)
InChIKeySWDCMLVYFGGVFO-UHFFFAOYSA-N
XLogP2.66
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133342735
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 42857549
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 133342751
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
CID 44527531
6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133383387

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133342811) is 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4noc(C)n4)CC3)nc2)cc1.
What is the InChIKey of 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is SWDCMLVYFGGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-3-6-18(7-4-15)24-21(28)17-5-8-20(22-13-17)27-11-9-26(10-12-27)14-19-23-16(2)29-25-19/h3-8,13H,9-12,14H2,1-2H3,(H,24,28).
What are the key properties of 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133342811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).