(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate

C112H120Br2N16O12 — CID 159127452

About (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate

(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate (PubChem CID 159127452) has the molecular formula C112H120Br2N16O12 and a molecular weight of 2042.10 g/mol. Its IUPAC name is (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate.

Molecular Properties

• Compound Name: (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
• PubChem CID: 159127452
• Molecular Formula: C112H120Br2N16O12
• Molecular Weight: 2042.10 g/mol
• Exact Mass: 2038.76
• IUPAC Name: (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
• SMILES: CC1(C)C[C@@H](O)[C@H](N)c2ccc(Br)cc21.Cc1cc(N)c(-c2ccccc2)nc1C(=O)NCC(C)(C)O.Cc1ccc(OC(=O)Nc2cc(C)c(C(=O)NCC(C)(C)O)nc2-c2ccccc2)cc1.Cc1cnc(C2=CCOCC2)c(N)c1.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)N[C@@H]2c3ccc(Br)cc3C(C)(C)C[C@H]2O)cc1C.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)Oc2ccc(C)cc2)cc1C
• InChI: InChI=1S/C26H25BrN4O2.C25H27N3O4.C21H17N3O2.C17H21N3O2.C12H16BrNO.C11H14N2O/c1-15-12-20(22(30-24(15)28-4)16-8-6-5-7-9-16)29-25(33)31-23-18-11-10-17(27)13-19(18)26(2,3)14-21(23)32;1-16-10-12-19(13-11-16)32-24(30)27-20-14-17(2)21(23(29)26-15-25(3,4)31)28-22(20)18-8-6-5-7-9-18;1-14-9-11-17(12-10-14)26-21(25)23-18-13-15(2)20(22-3)24-19(18)16-7-5-4-6-8-16;1-11-9-13(18)15(12-7-5-4-6-8-12)20-14(11)16(21)19-10-17(2,3)22;1-12(2)6-10(15)11(14)8-4-3-7(13)5-9(8)12;1-8-6-10(12)11(13-7-8)9-2-4-14-5-3-9/h5-13,21,23,32H,14H2,1-3H3,(H2,29,31,33);5-14,31H,15H2,1-4H3,(H,26,29)(H,27,30);4-13H,1-2H3,(H,23,25);4-9,22H,10,18H2,1-3H3,(H,19,21);3-5,10-11,15H,6,14H2,1-2H3;2,6-7H,3-5,12H2,1H3/t21-,23-;;;;10-,11-;/m1...1./s1
• InChIKey: KGLPXQWCKVEGOU-JKZDAKOFSA-N
• XLogP: 22.69
• TPSA: 417.37 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.10
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate?

The IUPAC name of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate (CID 159127452) is (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate.

What is the SMILES notation for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate?

The canonical SMILES for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate is CC1(C)C[C@@H](O)[C@H](N)c2ccc(Br)cc21.Cc1cc(N)c(-c2ccccc2)nc1C(=O)NCC(C)(C)O.Cc1ccc(OC(=O)Nc2cc(C)c(C(=O)NCC(C)(C)O)nc2-c2ccccc2)cc1.Cc1cnc(C2=CCOCC2)c(N)c1.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)N[C@@H]2c3ccc(Br)cc3C(C)(C)C[C@H]2O)cc1C.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)Oc2ccc(C)cc2)cc1C.

What is the InChIKey of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate?

The InChIKey is KGLPXQWCKVEGOU-JKZDAKOFSA-N. The full InChI is InChI=1S/C26H25BrN4O2.C25H27N3O4.C21H17N3O2.C17H21N3O2.C12H16BrNO.C11H14N2O/c1-15-12-20(22(30-24(15)28-4)16-8-6-5-7-9-16)29-25(33)31-23-18-11-10-17(27)13-19(18)26(2,3)14-21(23)32;1-16-10-12-19(13-11-16)32-24(30)27-20-14-17(2)21(23(29)26-15-25(3,4)31)28-22(20)18-8-6-5-7-9-18;1-14-9-11-17(12-10-14)26-21(25)23-18-13-15(2)20(22-3)24-19(18)16-7-5-4-6-8-16;1-11-9-13(18)15(12-7-5-4-6-8-12)20-14(11)16(21)19-10-17(2,3)22;1-12(2)6-10(15)11(14)8-4-3-7(13)5-9(8)12;1-8-6-10(12)11(13-7-8)9-2-4-14-5-3-9/h5-13,21,23,32H,14H2,1-3H3,(H2,29,31,33);5-14,31H,15H2,1-4H3,(H,26,29)(H,27,30);4-13H,1-2H3,(H,23,25);4-9,22H,10,18H2,1-3H3,(H,19,21);3-5,10-11,15H,6,14H2,1-2H3;2,6-7H,3-5,12H2,1H3/t21-,23-;;;;10-,11-;/m1...1./s1.

What are the key properties of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate?

(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate has a molecular weight of 2042.10 g/mol, XLogP of 22.69, 17 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate is sourced from PubChem (CID 159127452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).