6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate

C92H120BrN7O8 — CID 161494760

About 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate

6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate (PubChem CID 161494760) has the molecular formula C92H120BrN7O8 and a molecular weight of 1531.92 g/mol. Its IUPAC name is 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
• PubChem CID: 161494760
• Molecular Formula: C92H120BrN7O8
• Molecular Weight: 1531.92 g/mol
• Exact Mass: 1529.84
• IUPAC Name: 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
• SMILES: CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(N)nc1.Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C24H32N2O2.C23H30N2O2.C23H29NO2.C15H21Br.C7H8N2O2/c1-8-26(21-10-9-17(15-25-21)22(27)28-7)20-14-19-18(13-16(20)2)23(3,4)11-12-24(19,5)6;1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-15-11-19-20(23(4,5)10-9-22(19,2)3)13-17(15)12-18-8-7-16(14-24-18)21(25)26-6;1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3;1-11-7(10)5-2-3-6(8)9-4-5/h9-10,13-15H,8,11-12H2,1-7H3;8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);7-8,11,13-14H,9-10,12H2,1-6H3;8-9H,6-7H2,1-5H3;2-4H,1H3,(H2,8,9)
• InChIKey: WGBAGFONERGHAA-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 200.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.92
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate?

The IUPAC name of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate (CID 161494760) is 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate.

What is the SMILES notation for 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate?

The canonical SMILES for 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate is CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CCN(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(N)nc1.Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C.

What is the InChIKey of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate?

The InChIKey is WGBAGFONERGHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.C23H30N2O2.C23H29NO2.C15H21Br.C7H8N2O2/c1-8-26(21-10-9-17(15-25-21)22(27)28-7)20-14-19-18(13-16(20)2)23(3,4)11-12-24(19,5)6;1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6;1-15-11-19-20(23(4,5)10-9-22(19,2)3)13-17(15)12-18-8-7-16(14-24-18)21(25)26-6;1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3;1-11-7(10)5-2-3-6(8)9-4-5/h9-10,13-15H,8,11-12H2,1-7H3;8-9,12-14H,7,10-11H2,1-6H3,(H,26,27);7-8,11,13-14H,9-10,12H2,1-6H3;8-9H,6-7H2,1-5H3;2-4H,1H3,(H2,8,9).

What are the key properties of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate?

6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate has a molecular weight of 1531.92 g/mol, XLogP of 21.95, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 161494760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).