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

C81H103Cl2N8NaO14 — CID 159924419

IUPACsodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide
SMILESC.C=CCCl.C=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12.C=CCOC(C)c1c(C)c(C(=O)O)cc2cccn12.C=CCOC(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-]
InChIInChI=1S/C23H27N3O3.C17H21NO3.C15H17NO3.C14H17NO3.C8H11ClN2O.C3H5Cl.CH4.Na.H2O/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28;1-5-10-21-13(4)16-12(3)15(17(19)20-6-2)11-14-8-7-9-18(14)16;1-4-8-19-11(3)14-10(2)13(15(17)18)9-12-6-5-7-16(12)14;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;1-2-3-4;;;/h6-9,11-12,17H,1,10,13H2,2-5H3,(H,24,27)(H,25,28);5,7-9,11,13H,1,6,10H2,2-4H3;4-7,9,11H,1,8H2,2-3H3,(H,17,18);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);2H,1,3H2;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyNYVABJRQYUZDHC-UHFFFAOYSA-M
MW1506.65 g/mol
LogP13.23
Rot. Bonds24

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

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide (PubChem CID 159924419) has the molecular formula C81H103Cl2N8NaO14 and a molecular weight of 1506.65 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide
PubChem CID159924419
Molecular FormulaC81H103Cl2N8NaO14
Molecular Weight1506.65 g/mol
Exact Mass1504.69
IUPAC Namesodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide
SMILESC.C=CCCl.C=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12.C=CCOC(C)c1c(C)c(C(=O)O)cc2cccn12.C=CCOC(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-]
InChIInChI=1S/C23H27N3O3.C17H21NO3.C15H17NO3.C14H17NO3.C8H11ClN2O.C3H5Cl.CH4.Na.H2O/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28;1-5-10-21-13(4)16-12(3)15(17(19)20-6-2)11-14-8-7-9-18(14)16;1-4-8-19-11(3)14-10(2)13(15(17)18)9-12-6-5-7-16(12)14;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;1-2-3-4;;;/h6-9,11-12,17H,1,10,13H2,2-5H3,(H,24,27)(H,25,28);5,7-9,11,13H,1,6,10H2,2-4H3;4-7,9,11H,1,8H2,2-3H3,(H,17,18);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);2H,1,3H2;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyNYVABJRQYUZDHC-UHFFFAOYSA-M
XLogP13.23
TPSA292.31 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001506.65
LogP ≤ 513.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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'}

Analyze sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide?
The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide (CID 159924419) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide?
The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide is C.C=CCCl.C=CCOC(C)c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cccn12.C=CCOC(C)c1c(C)c(C(=O)O)cc2cccn12.C=CCOC(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-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide?
The InChIKey is NYVABJRQYUZDHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27N3O3.C17H21NO3.C15H17NO3.C14H17NO3.C8H11ClN2O.C3H5Cl.CH4.Na.H2O/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28;1-5-10-21-13(4)16-12(3)15(17(19)20-6-2)11-14-8-7-9-18(14)16;1-4-8-19-11(3)14-10(2)13(15(17)18)9-12-6-5-7-16(12)14;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;1-2-3-4;;;/h6-9,11-12,17H,1,10,13H2,2-5H3,(H,24,27)(H,25,28);5,7-9,11,13H,1,6,10H2,2-4H3;4-7,9,11H,1,8H2,2-3H3,(H,17,18);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);2H,1,3H2;1H4;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide?
sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;3-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1506.65 g/mol, XLogP of 13.23, 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-chloroprop-1-ene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylate;methane;6-methyl-5-(1-prop-2-enoxyethyl)indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 159924419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).