2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

C20H23N7O2 — CID 25454870

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1nonc1CC(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N7O2/c1-15-17(25-29-24-15)13-19(28)23-14-16-5-4-8-22-20(16)27-11-9-26(10-12-27)18-6-2-3-7-21-18/h2-8H,9-14H2,1H3,(H,23,28)
InChIKeyNCCZDCBRPPQIOR-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.35
Rot. Bonds6

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 25454870) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID25454870
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1nonc1CC(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N7O2/c1-15-17(25-29-24-15)13-19(28)23-14-16-5-4-8-22-20(16)27-11-9-26(10-12-27)18-6-2-3-7-21-18/h2-8H,9-14H2,1H3,(H,23,28)
InChIKeyNCCZDCBRPPQIOR-UHFFFAOYSA-N
XLogP1.35
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 56746760
6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
CID 56745926
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 56745164
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
3-[(3R)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26408155
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (CID 25454870) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is Cc1nonc1CC(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is NCCZDCBRPPQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-15-17(25-29-24-15)13-19(28)23-14-16-5-4-8-22-20(16)27-11-9-26(10-12-27)18-6-2-3-7-21-18/h2-8H,9-14H2,1H3,(H,23,28).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 25454870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).