sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane

C71H78ClN8NaO12S2 — CID 160711023

About sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane

sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane (PubChem CID 160711023) has the molecular formula C71H78ClN8NaO12S2 and a molecular weight of 1358.03 g/mol. Its IUPAC name is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane.

Molecular Properties

• Compound Name: sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane
• PubChem CID: 160711023
• Molecular Formula: C71H78ClN8NaO12S2
• Molecular Weight: 1358.03 g/mol
• Exact Mass: 1356.48
• IUPAC Name: sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane
• SMILES: C1CCOC1.Cc1[nH]c2ccccc2c1C(=O)O.Cc1cc(C)c(CCC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+]
• InChI: InChI=1S/C24H23N3O4S.C19H20N2O2.C10H9NO2.C8H12N2O.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-11-10-12(2)20-19(23)14(11)8-9-17(22)18-13(3)21-16-7-5-4-6-15(16)18;1-6-9(10(12)13)7-4-2-3-5-8(7)11-6;1-5-3-6(2)10-8(11)7(5)4-9;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-7,10,21H,8-9H2,1-3H3,(H,20,23);2-5,11H,1H3,(H,12,13);3H,4,9H2,1-2H3,(H,10,11);1-5H;1-4H2;;/q;;;;;;+1;-1
• InChIKey: IYJGIXJDCTURNR-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 322.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.03
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane?

The IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane (CID 160711023) is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane.

What is the SMILES notation for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane?

The canonical SMILES for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane is C1CCOC1.Cc1[nH]c2ccccc2c1C(=O)O.Cc1cc(C)c(CCC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+].

What is the InChIKey of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane?

The InChIKey is IYJGIXJDCTURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S.C19H20N2O2.C10H9NO2.C8H12N2O.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-11-10-12(2)20-19(23)14(11)8-9-17(22)18-13(3)21-16-7-5-4-6-15(16)18;1-6-9(10(12)13)7-4-2-3-5-8(7)11-6;1-5-3-6(2)10-8(11)7(5)4-9;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-7,10,21H,8-9H2,1-3H3,(H,20,23);2-5,11H,1H3,(H,12,13);3H,4,9H2,1-2H3,(H,10,11);1-5H;1-4H2;;/q;;;;;;+1;-1.

What are the key properties of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane?

sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane has a molecular weight of 1358.03 g/mol, XLogP of 9.17, 12 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4,6-dimethyl-3-[3-(2-methyl-1H-indol-3-yl)-3-oxopropyl]-1H-pyridin-2-one;hydride;2-methyl-1H-indole-3-carboxylic acid;oxolane is sourced from PubChem (CID 160711023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).