sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

C88H99Cl2N8NaO14S4 — CID 158379711

About sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (PubChem CID 158379711) has the molecular formula C88H99Cl2N8NaO14S4 and a molecular weight of 1714.97 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• PubChem CID: 158379711
• Molecular Formula: C88H99Cl2N8NaO14S4
• Molecular Weight: 1714.97 g/mol
• Exact Mass: 1712.54
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• SMILES: CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccsc2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccsc1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccsc3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.ClCc1ccsc1.[Na+].[OH-]
• InChI: InChI=1S/C25H27N3O3S.C19H21NO3S.C17H17NO3S.C14H17NO3.C8H11ClN2O.C5H5ClS.Na.H2O/c1-15-10-16(2)27-25(30)22(15)12-26-24(29)21-11-20-6-5-8-28(20)23(17(21)3)18(4)31-13-19-7-9-32-14-19;1-4-22-19(21)17-10-16-6-5-8-20(16)18(13(17)2)14(3)23-11-15-7-9-24-12-15;1-11-15(17(19)20)8-14-4-3-6-18(14)16(11)12(2)21-9-13-5-7-22-10-13;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;6-3-5-1-2-7-4-5;;/h5-11,14,18H,12-13H2,1-4H3,(H,26,29)(H,27,30);5-10,12,14H,4,11H2,1-3H3;3-8,10,12H,9H2,1-2H3,(H,19,20);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-2,4H,3H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: GVQGYZGRZBEVJD-UHFFFAOYSA-M
• XLogP: 16.90
• TPSA: 292.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.97
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (CID 158379711) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccsc2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccsc1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccsc3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.ClCc1ccsc1.[Na+].[OH-].

What is the InChIKey of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The InChIKey is GVQGYZGRZBEVJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27N3O3S.C19H21NO3S.C17H17NO3S.C14H17NO3.C8H11ClN2O.C5H5ClS.Na.H2O/c1-15-10-16(2)27-25(30)22(15)12-26-24(29)21-11-20-6-5-8-28(20)23(17(21)3)18(4)31-13-19-7-9-32-14-19;1-4-22-19(21)17-10-16-6-5-8-20(16)18(13(17)2)14(3)23-11-15-7-9-24-12-15;1-11-15(17(19)20)8-14-4-3-6-18(14)16(11)12(2)21-9-13-5-7-22-10-13;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;6-3-5-1-2-7-4-5;;/h5-11,14,18H,12-13H2,1-4H3,(H,26,29)(H,27,30);5-10,12,14H,4,11H2,1-3H3;3-8,10,12H,9H2,1-2H3,(H,19,20);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-2,4H,3H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1714.97 g/mol, XLogP of 16.90, 24 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-(chloromethyl)thiophene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 158379711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).