N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide

C18H16N4O2 — CID 11580569

IUPACN-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-12(23)20-14-5-2-4-13(8-14)17-10-19-11-18(22-17)21-15-6-3-7-16(24)9-15/h2-11,24H,1H3,(H,20,23)(H,21,22)
InChIKeyMFFDJRZIKKOABK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.55
Rot. Bonds4

About N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11580569) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11580569
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C18H16N4O2/c1-12(23)20-14-5-2-4-13(8-14)17-10-19-11-18(22-17)21-15-6-3-7-16(24)9-15/h2-11,24H,1H3,(H,20,23)(H,21,22)
InChIKeyMFFDJRZIKKOABK-UHFFFAOYSA-N
XLogP3.55
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[6-(3-hydroxyanilino)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-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide (CID 11580569) is N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3cccc(O)c3)n2)c1.
What is the InChIKey of N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is MFFDJRZIKKOABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(23)20-14-5-2-4-13(8-14)17-10-19-11-18(22-17)21-15-6-3-7-16(24)9-15/h2-11,24H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxyanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).