4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide

C25H23N5O3S — CID 118046732

IUPAC4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide
SMILESCc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc2)n1
InChIInChI=1S/C25H23N5O3S/c1-16-13-27-11-10-21(16)22-15-28-24(26)23(30-22)18-6-8-19(9-7-18)25(31)29-14-17-4-3-5-20(12-17)34(2,32)33/h3-13,15H,14H2,1-2H3,(H2,26,28)(H,29,31)
InChIKeyXGYKABBOIHGPCE-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.43
Rot. Bonds6

About 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide

4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide (PubChem CID 118046732) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide
PubChem CID118046732
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide
SMILESCc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc2)n1
InChIInChI=1S/C25H23N5O3S/c1-16-13-27-11-10-21(16)22-15-28-24(26)23(30-22)18-6-8-19(9-7-18)25(31)29-14-17-4-3-5-20(12-17)34(2,32)33/h3-13,15H,14H2,1-2H3,(H2,26,28)(H,29,31)
InChIKeyXGYKABBOIHGPCE-UHFFFAOYSA-N
XLogP3.43
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide 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 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide (CID 118046732) is 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide is Cc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc2)n1.
What is the InChIKey of 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide?
The InChIKey is XGYKABBOIHGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-16-13-27-11-10-21(16)22-15-28-24(26)23(30-22)18-6-8-19(9-7-18)25(31)29-14-17-4-3-5-20(12-17)34(2,32)33/h3-13,15H,14H2,1-2H3,(H2,26,28)(H,29,31).
What are the key properties of 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide?
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide has a molecular weight of 473.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 118046732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).