4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide

C19H18N6O3 — CID 38940142

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)n1
InChIInChI=1S/C19H18N6O3/c1-12-22-19(28-24-12)14-4-2-13(3-5-14)18(27)23-15-6-7-16(21-10-15)25-9-8-20-17(26)11-25/h2-7,10H,8-9,11H2,1H3,(H,20,26)(H,23,27)
InChIKeyLYOMFFLYUWXNQU-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.63
Rot. Bonds4

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 38940142) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID38940142
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)n1
InChIInChI=1S/C19H18N6O3/c1-12-22-19(28-24-12)14-4-2-13(3-5-14)18(27)23-15-6-7-16(21-10-15)25-9-8-20-17(26)11-25/h2-7,10H,8-9,11H2,1H3,(H,20,26)(H,23,27)
InChIKeyLYOMFFLYUWXNQU-UHFFFAOYSA-N
XLogP1.63
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide with MolForge

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Related Compounds

4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 99696295
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 34592320
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 34587172
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939648

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (CID 38940142) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is Cc1noc(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is LYOMFFLYUWXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-12-22-19(28-24-12)14-4-2-13(3-5-14)18(27)23-15-6-7-16(21-10-15)25-9-8-20-17(26)11-25/h2-7,10H,8-9,11H2,1H3,(H,20,26)(H,23,27).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 38940142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).