N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide

C22H23N5O2 — CID 11574625

IUPACN-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)27-9-11-29-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeySSOSLWIJKQSITE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds5

About N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11574625) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11574625
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)27-9-11-29-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeySSOSLWIJKQSITE-UHFFFAOYSA-N
XLogP3.68
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide (CID 11574625) is N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is SSOSLWIJKQSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)27-9-11-29-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-morpholin-4-ylanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11574625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).