3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide

C20H22N4O3 — CID 72685110

IUPAC3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
SMILESCOc1ccccc1C(C)=CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C20H22N4O3/c1-14(16-5-3-4-6-17(16)27-2)11-19(25)23-15-7-8-18(22-12-15)24-10-9-21-20(26)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeySUJNBLDXUPKZAD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.07
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide

3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide (PubChem CID 72685110) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
PubChem CID72685110
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
SMILESCOc1ccccc1C(C)=CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C20H22N4O3/c1-14(16-5-3-4-6-17(16)27-2)11-19(25)23-15-7-8-18(22-12-15)24-10-9-21-20(26)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeySUJNBLDXUPKZAD-UHFFFAOYSA-N
XLogP2.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one
CID 78862709
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 60579425
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86982929

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide (CID 72685110) is 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide is COc1ccccc1C(C)=CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide?
The InChIKey is SUJNBLDXUPKZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(16-5-3-4-6-17(16)27-2)11-19(25)23-15-7-8-18(22-12-15)24-10-9-21-20(26)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide?
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide is sourced from PubChem (CID 72685110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).