sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide

C93H124ClN8NaO14 — CID 159692063

About sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide (PubChem CID 159692063) has the molecular formula C93H124ClN8NaO14 and a molecular weight of 1636.50 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide
• PubChem CID: 159692063
• Molecular Formula: C93H124ClN8NaO14
• Molecular Weight: 1636.50 g/mol
• Exact Mass: 1634.88
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide
• SMILES: C.CCOC(=O)c1cc2cccn2c(C(C)OC2C=CCCC2)c1C.CCOC(=O)c1cc2cccn2c(C(C)OC2CCCCC2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OC1CCCCC1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OC3CCCCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-]
• InChI: InChI=1S/C26H33N3O3.C20H27NO3.C20H25NO3.C18H23NO3.C8H11ClN2O.CH4.Na.H2O/c1-16-13-17(2)28-26(31)23(16)15-27-25(30)22-14-20-9-8-12-29(20)24(18(22)3)19(4)32-21-10-6-5-7-11-21;2*1-4-23-20(22)18-13-16-9-8-12-21(16)19(14(18)2)15(3)24-17-10-6-5-7-11-17;1-12-16(18(20)21)11-14-7-6-10-19(14)17(12)13(2)22-15-8-4-3-5-9-15;1-5-3-6(2)11-8(12)7(5)4-10-9;;;/h8-9,12-14,19,21H,5-7,10-11,15H2,1-4H3,(H,27,30)(H,28,31);8-9,12-13,15,17H,4-7,10-11H2,1-3H3;6,8-10,12-13,15,17H,4-5,7,11H2,1-3H3;6-7,10-11,13,15H,3-5,8-9H2,1-2H3,(H,20,21);3,10H,4H2,1-2H3,(H,11,12);1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: MWNTZAVEIVGUSH-UHFFFAOYSA-M
• XLogP: 17.39
• TPSA: 281.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.50
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide (CID 159692063) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide.

What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide?

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide is C.CCOC(=O)c1cc2cccn2c(C(C)OC2C=CCCC2)c1C.CCOC(=O)c1cc2cccn2c(C(C)OC2CCCCC2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OC1CCCCC1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OC3CCCCC3)c2C)c(=O)[nH]1.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;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide?

The InChIKey is MWNTZAVEIVGUSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H33N3O3.C20H27NO3.C20H25NO3.C18H23NO3.C8H11ClN2O.CH4.Na.H2O/c1-16-13-17(2)28-26(31)23(16)15-27-25(30)22-14-20-9-8-12-29(20)24(18(22)3)19(4)32-21-10-6-5-7-11-21;2*1-4-23-20(22)18-13-16-9-8-12-21(16)19(14(18)2)15(3)24-17-10-6-5-7-11-17;1-12-16(18(20)21)11-14-7-6-10-19(14)17(12)13(2)22-15-8-4-3-5-9-15;1-5-3-6(2)11-8(12)7(5)4-10-9;;;/h8-9,12-14,19,21H,5-7,10-11,15H2,1-4H3,(H,27,30)(H,28,31);8-9,12-13,15,17H,4-7,10-11H2,1-3H3;6,8-10,12-13,15,17H,4-5,7,11H2,1-3H3;6-7,10-11,13,15H,3-5,8-9H2,1-2H3,(H,20,21);3,10H,4H2,1-2H3,(H,11,12);1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide?

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide has a molecular weight of 1636.50 g/mol, XLogP of 17.39, 22 rotatable bonds, 5 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;5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylic acid;ethyl 5-(1-cyclohex-2-en-1-yloxyethyl)-6-methylindolizine-7-carboxylate;ethyl 5-(1-cyclohexyloxyethyl)-6-methylindolizine-7-carboxylate;methane;hydroxide is sourced from PubChem (CID 159692063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).