N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

C26H22FN3O2 — CID 143001152

IUPACN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H22FN3O2/c1-17-7-9-18(10-8-17)15-23(31)30-26-24(25(32)20-5-3-2-4-6-20)29-22(16-28-26)19-11-13-21(27)14-12-19/h2-14,16,25,32H,15H2,1H3,(H,28,30,31)
InChIKeyONTNCGPMPDXUQL-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.85
Rot. Bonds6

About N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 143001152) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID143001152
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC NameN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H22FN3O2/c1-17-7-9-18(10-8-17)15-23(31)30-26-24(25(32)20-5-3-2-4-6-20)29-22(16-28-26)19-11-13-21(27)14-12-19/h2-14,16,25,32H,15H2,1H3,(H,28,30,31)
InChIKeyONTNCGPMPDXUQL-UHFFFAOYSA-N
XLogP4.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Coelenteramide
CID 448487
(2R)-N-[4-(6-amino-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)-2-hydroxyacetamide
CID 156118083
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045402
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045595
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-(3-iodophenyl)ethyl]benzamide
CID 118045716
2-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 155568609
4-[3-amino-6-(2-hydroxyethyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045210
(R)-4-(3-amino-6-(2-hydroxypropyl)pyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 118045771
(+/-)-4-(3-amino-6-(2-hydroxypropyl)pyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 118045775
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 118045839
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046059
4-[3-amino-6-(2-ethoxyethyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046332

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (CID 143001152) is N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2C(O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is ONTNCGPMPDXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-17-7-9-18(10-8-17)15-23(31)30-26-24(25(32)20-5-3-2-4-6-20)29-22(16-28-26)19-11-13-21(27)14-12-19/h2-14,16,25,32H,15H2,1H3,(H,28,30,31).
What are the key properties of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 427.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).