2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

C22H24N6O3S — CID 70936548

IUPAC2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1nc(-c2ccccn2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H24N6O3S/c1-15-14-16(32(2,30)31)9-10-17(15)20(29)26-21-24-19(18-8-4-5-11-23-18)25-22(27-21)28-12-6-3-7-13-28/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,24,25,26,27,29)
InChIKeyFBYMUVBEGANXEN-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 70936548) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID70936548
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1nc(-c2ccccn2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H24N6O3S/c1-15-14-16(32(2,30)31)9-10-17(15)20(29)26-21-24-19(18-8-4-5-11-23-18)25-22(27-21)28-12-6-3-7-13-28/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,24,25,26,27,29)
InChIKeyFBYMUVBEGANXEN-UHFFFAOYSA-N
XLogP2.89
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)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 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 70936548) is 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1nc(-c2ccccn2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is FBYMUVBEGANXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-15-14-16(32(2,30)31)9-10-17(15)20(29)26-21-24-19(18-8-4-5-11-23-18)25-22(27-21)28-12-6-3-7-13-28/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,24,25,26,27,29).
What are the key properties of 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 452.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonyl-N-(4-piperidin-1-yl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 70936548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).