5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate

C108H128Br3N17O14 — CID 160635343

About 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate

5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate (PubChem CID 160635343) has the molecular formula C108H128Br3N17O14 and a molecular weight of 2128.03 g/mol. Its IUPAC name is 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate
• PubChem CID: 160635343
• Molecular Formula: C108H128Br3N17O14
• Molecular Weight: 2128.03 g/mol
• Exact Mass: 2123.74
• IUPAC Name: 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate
• SMILES: Cc1cc(NC(=O)N[C@@H]2c3ccc(Br)cc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(N)=O.Cc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1Br.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C)nc3)nc2C2CCOCC2)cc1.Cc1ccc(OC(=O)Nc2cc(C)c(Br)nc2C2CCOCC2)cc1.Cc1ncc(-c2nc(C3CCOCC3)c(N)cc2C)cn1
• InChI: InChI=1S/C25H31BrN4O4.C24H30BrN3O3.C24H26N4O3.C19H21BrN2O3.C16H20N4O/c1-13-10-18(21(29-20(13)23(27)32)14-6-8-34-9-7-14)28-24(33)30-22-16-5-4-15(26)11-17(16)25(2,3)12-19(22)31;1-14-12-18(20(27-22(14)25)15-8-10-31-11-9-15)26-23(30)28-21-16-6-4-5-7-17(16)24(2,3)13-19(21)29;1-15-4-6-20(7-5-15)31-24(29)27-21-12-16(2)22(19-13-25-17(3)26-14-19)28-23(21)18-8-10-30-11-9-18;1-12-3-5-15(6-4-12)25-19(23)21-16-11-13(2)18(20)22-17(16)14-7-9-24-10-8-14;1-10-7-14(17)16(12-3-5-21-6-4-12)20-15(10)13-8-18-11(2)19-9-13/h4-5,10-11,14,19,22,31H,6-9,12H2,1-3H3,(H2,27,32)(H2,28,30,33);4-7,12,15,19,21,29H,8-11,13H2,1-3H3,(H2,26,28,30);4-7,12-14,18H,8-11H2,1-3H3,(H,27,29);3-6,11,14H,7-10H2,1-2H3,(H,21,23);7-9,12H,3-6,17H2,1-2H3/t19-,22-;19-,21-;;;/m11.../s1
• InChIKey: RILRYNUIGIHMAC-OUFSDEKBSA-N
• XLogP: 21.57
• TPSA: 430.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.03
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate?

The IUPAC name of 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate (CID 160635343) is 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate.

What is the SMILES notation for 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate?

The canonical SMILES for 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate is Cc1cc(NC(=O)N[C@@H]2c3ccc(Br)cc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(N)=O.Cc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1Br.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C)nc3)nc2C2CCOCC2)cc1.Cc1ccc(OC(=O)Nc2cc(C)c(Br)nc2C2CCOCC2)cc1.Cc1ncc(-c2nc(C3CCOCC3)c(N)cc2C)cn1.

What is the InChIKey of 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate?

The InChIKey is RILRYNUIGIHMAC-OUFSDEKBSA-N. The full InChI is InChI=1S/C25H31BrN4O4.C24H30BrN3O3.C24H26N4O3.C19H21BrN2O3.C16H20N4O/c1-13-10-18(21(29-20(13)23(27)32)14-6-8-34-9-7-14)28-24(33)30-22-16-5-4-15(26)11-17(16)25(2,3)12-19(22)31;1-14-12-18(20(27-22(14)25)15-8-10-31-11-9-15)26-23(30)28-21-16-6-4-5-7-17(16)24(2,3)13-19(21)29;1-15-4-6-20(7-5-15)31-24(29)27-21-12-16(2)22(19-13-25-17(3)26-14-19)28-23(21)18-8-10-30-11-9-18;1-12-3-5-15(6-4-12)25-19(23)21-16-11-13(2)18(20)22-17(16)14-7-9-24-10-8-14;1-10-7-14(17)16(12-3-5-21-6-4-12)20-15(10)13-8-18-11(2)19-9-13/h4-5,10-11,14,19,22,31H,6-9,12H2,1-3H3,(H2,27,32)(H2,28,30,33);4-7,12,15,19,21,29H,8-11,13H2,1-3H3,(H2,26,28,30);4-7,12-14,18H,8-11H2,1-3H3,(H,27,29);3-6,11,14H,7-10H2,1-2H3,(H,21,23);7-9,12H,3-6,17H2,1-2H3/t19-,22-;19-,21-;;;/m11.../s1.

What are the key properties of 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate?

5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate has a molecular weight of 2128.03 g/mol, XLogP of 21.57, 16 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 160635343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).