5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C54H67N15O11S2 — CID 158028238

About 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 158028238) has the molecular formula C54H67N15O11S2 and a molecular weight of 1166.36 g/mol. Its IUPAC name is 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• PubChem CID: 158028238
• Molecular Formula: C54H67N15O11S2
• Molecular Weight: 1166.36 g/mol
• Exact Mass: 1165.46
• IUPAC Name: 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• SMILES: CC(=O)c1cccnc1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2NC(=O)OC(C)c2cccnc2C)ccc1NS(C)(=O)=O.Cc1ncccc1C(C)O.Cc1ncccc1C(C)O
• InChI: InChI=1S/C19H23N7O4S.C11H13N5O4S.2C8H11NO.C8H9NO/c1-11-14(7-6-10-20-11)13(3)30-19(27)22-18-17(23-25-26(18)4)16-9-8-15(12(2)21-16)24-31(5,28)29;1-6-7(14-21(3,19)20)4-5-8(12-6)9-10(11(17)18)16(2)15-13-9;3*1-6-8(7(2)10)4-3-5-9-6/h6-10,13,24H,1-5H3,(H,22,27);4-5,14H,1-3H3,(H,17,18);2*3-5,7,10H,1-2H3;3-5H,1-2H3
• InChIKey: FGVZYDXOCMYYAH-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 364.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1166.36
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The IUPAC name of 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 158028238) is 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

What is the SMILES notation for 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The canonical SMILES for 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is CC(=O)c1cccnc1C.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.Cc1nc(-c2nnn(C)c2NC(=O)OC(C)c2cccnc2C)ccc1NS(C)(=O)=O.Cc1ncccc1C(C)O.Cc1ncccc1C(C)O.

What is the InChIKey of 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The InChIKey is FGVZYDXOCMYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O4S.C11H13N5O4S.2C8H11NO.C8H9NO/c1-11-14(7-6-10-20-11)13(3)30-19(27)22-18-17(23-25-26(18)4)16-9-8-15(12(2)21-16)24-31(5,28)29;1-6-7(14-21(3,19)20)4-5-8(12-6)9-10(11(17)18)16(2)15-13-9;3*1-6-8(7(2)10)4-3-5-9-6/h6-10,13,24H,1-5H3,(H,22,27);4-5,14H,1-3H3,(H,17,18);2*3-5,7,10H,1-2H3;3-5H,1-2H3.

What are the key properties of 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 1166.36 g/mol, XLogP of 7.30, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;bis(1-(2-methyl-3-pyridinyl)ethanol);1-(2-methyl-3-pyridinyl)ethanone;1-(2-methyl-3-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 158028238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).