sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

C85H111Cl2N8NaO14 — CID 159363310

About sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (PubChem CID 159363310) has the molecular formula C85H111Cl2N8NaO14 and a molecular weight of 1562.76 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• PubChem CID: 159363310
• Molecular Formula: C85H111Cl2N8NaO14
• Molecular Weight: 1562.76 g/mol
• Exact Mass: 1560.75
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• SMILES: C.C=C(C)CCl.C=C(C)COC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12.C=C(C)COC(C)c1c(C)c(C(=O)O)cc2cccn12.C=C(C)COC(C)c1c(C)c(C(=O)OCC)cc2cccn12.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-]
• InChI: InChI=1S/C24H29N3O3.C18H23NO3.C16H19NO3.C14H17NO3.C8H11ClN2O.C4H7Cl.CH4.Na.H2O/c1-14(2)13-30-18(6)22-17(5)20(11-19-8-7-9-27(19)22)23(28)25-12-21-15(3)10-16(4)26-24(21)29;1-6-21-18(20)16-10-15-8-7-9-19(15)17(13(16)4)14(5)22-11-12(2)3;1-10(2)9-20-12(4)15-11(3)14(16(18)19)8-13-6-5-7-17(13)15;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;1-4(2)3-5;;;/h7-11,18H,1,12-13H2,2-6H3,(H,25,28)(H,26,29);7-10,14H,2,6,11H2,1,3-5H3;5-8,12H,1,9H2,2-4H3,(H,18,19);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1,3H2,2H3;1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: LIUPBGXCODXGPK-UHFFFAOYSA-M
• XLogP: 14.79
• TPSA: 292.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1562.76
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (CID 159363310) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

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

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is C.C=C(C)CCl.C=C(C)COC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12.C=C(C)COC(C)c1c(C)c(C(=O)O)cc2cccn12.C=C(C)COC(C)c1c(C)c(C(=O)OCC)cc2cccn12.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-].

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

The InChIKey is LIUPBGXCODXGPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29N3O3.C18H23NO3.C16H19NO3.C14H17NO3.C8H11ClN2O.C4H7Cl.CH4.Na.H2O/c1-14(2)13-30-18(6)22-17(5)20(11-19-8-7-9-27(19)22)23(28)25-12-21-15(3)10-16(4)26-24(21)29;1-6-21-18(20)16-10-15-8-7-9-19(15)17(13(16)4)14(5)22-11-12(2)3;1-10(2)9-20-12(4)15-11(3)14(16(18)19)8-13-6-5-7-17(13)15;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;1-4(2)3-5;;;/h7-11,18H,1,12-13H2,2-6H3,(H,25,28)(H,26,29);7-10,14H,2,6,11H2,1,3-5H3;5-8,12H,1,9H2,2-4H3,(H,18,19);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1,3H2,2H3;1H4;;1H2/q;;;;;;;+1;/p-1.

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

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1562.76 g/mol, XLogP of 14.79, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloro-2-methylprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylate;methane;6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 159363310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).