sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide

C169H218BBr5Cl6N15NaO30 — CID 165082822

About sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide

sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide (PubChem CID 165082822) has the molecular formula C169H218BBr5Cl6N15NaO30 and a molecular weight of 3585.72 g/mol. Its IUPAC name is sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide.

Molecular Properties

• Compound Name: sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide
• PubChem CID: 165082822
• Molecular Formula: C169H218BBr5Cl6N15NaO30
• Molecular Weight: 3585.72 g/mol
• Exact Mass: 3576.00
• IUPAC Name: sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide
• SMILES: C.CC1(C)OB(c2ccc3c(c2)CCC3N2CCOCC2)OC1(C)C.CCN(c1cc(-c2ccc3c(c2)CCC3N2CCOCC2)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)CCC3N2CCOCC2)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)OC)c1C)C1CCOCC1.COC(=O)c1c(C)c(CC2CCOCC2)cc(Br)c1Cl.COC(=O)c1c(C)c(N)cc(Br)c1Cl.COC(=O)c1cc(Br)cc(N)c1C.O=C1CCOCC1.[Na+].[OH-]
• InChI: InChI=1S/2C36H45ClN4O5.C23H29BrClN3O4.C19H28BNO3.C16H21BrClNO3.C15H18BrClO3.C9H9BrClNO2.C9H10BrNO2.C5H8O2.CH4.Na.H2O/c2*1-5-41(26-10-14-45-15-11-26)31-20-28(25-6-8-27-24(19-25)7-9-30(27)40-12-16-46-17-13-40)34(37)33(23(31)3)36(43)38-21-29-32(44-4)18-22(2)39-35(29)42;1-5-28(15-6-8-32-9-7-15)18-11-17(24)21(25)20(14(18)3)23(30)26-12-16-19(31-4)10-13(2)27-22(16)29;1-18(2)19(3,4)24-20(23-18)15-6-7-16-14(13-15)5-8-17(16)21-9-11-22-12-10-21;1-4-19(11-5-7-22-8-6-11)13-9-12(17)15(18)14(10(13)2)16(20)21-3;1-9-11(7-10-3-5-20-6-4-10)8-12(16)14(17)13(9)15(18)19-2;1-4-6(12)3-5(10)8(11)7(4)9(13)14-2;1-5-7(9(12)13-2)3-6(10)4-8(5)11;6-5-1-3-7-4-2-5;;;/h2*6,8,18-20,26,30H,5,7,9-17,21H2,1-4H3,(H,38,43)(H,39,42);10-11,15H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);6-7,13,17H,5,8-12H2,1-4H3;9,11H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;3H,12H2,1-2H3;3-4H,11H2,1-2H3;1-4H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: VKDAQYLHTODHHD-UHFFFAOYSA-M
• XLogP: 28.91
• TPSA: 542.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3585.72
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide?

The IUPAC name of sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide (CID 165082822) is sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide.

What is the SMILES notation for sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide?

The canonical SMILES for sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide is C.CC1(C)OB(c2ccc3c(c2)CCC3N2CCOCC2)OC1(C)C.CCN(c1cc(-c2ccc3c(c2)CCC3N2CCOCC2)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)CCC3N2CCOCC2)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)OC)c1C)C1CCOCC1.COC(=O)c1c(C)c(CC2CCOCC2)cc(Br)c1Cl.COC(=O)c1c(C)c(N)cc(Br)c1Cl.COC(=O)c1cc(Br)cc(N)c1C.O=C1CCOCC1.[Na+].[OH-].

What is the InChIKey of sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide?

The InChIKey is VKDAQYLHTODHHD-UHFFFAOYSA-M. The full InChI is InChI=1S/2C36H45ClN4O5.C23H29BrClN3O4.C19H28BNO3.C16H21BrClNO3.C15H18BrClO3.C9H9BrClNO2.C9H10BrNO2.C5H8O2.CH4.Na.H2O/c2*1-5-41(26-10-14-45-15-11-26)31-20-28(25-6-8-27-24(19-25)7-9-30(27)40-12-16-46-17-13-40)34(37)33(23(31)3)36(43)38-21-29-32(44-4)18-22(2)39-35(29)42;1-5-28(15-6-8-32-9-7-15)18-11-17(24)21(25)20(14(18)3)23(30)26-12-16-19(31-4)10-13(2)27-22(16)29;1-18(2)19(3,4)24-20(23-18)15-6-7-16-14(13-15)5-8-17(16)21-9-11-22-12-10-21;1-4-19(11-5-7-22-8-6-11)13-9-12(17)15(18)14(10(13)2)16(20)21-3;1-9-11(7-10-3-5-20-6-4-10)8-12(16)14(17)13(9)15(18)19-2;1-4-6(12)3-5(10)8(11)7(4)9(13)14-2;1-5-7(9(12)13-2)3-6(10)4-8(5)11;6-5-1-3-7-4-2-5;;;/h2*6,8,18-20,26,30H,5,7,9-17,21H2,1-4H3,(H,38,43)(H,39,42);10-11,15H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);6-7,13,17H,5,8-12H2,1-4H3;9,11H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;3H,12H2,1-2H3;3-4H,11H2,1-2H3;1-4H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide?

sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide has a molecular weight of 3585.72 g/mol, XLogP of 28.91, 36 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylbenzamide;bis(2-chloro-5-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-3-(1-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide);methane;methyl 5-amino-3-bromo-2-chloro-6-methylbenzoate;methyl 3-amino-5-bromo-2-methylbenzoate;methyl 3-bromo-2-chloro-5-[ethyl(oxan-4-yl)amino]-6-methylbenzoate;methyl 3-bromo-2-chloro-6-methyl-5-(oxan-4-ylmethyl)benzoate;oxan-4-one;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;hydroxide is sourced from PubChem (CID 165082822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).