(1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride

C112H107BrClF4N19O13 — CID 160939938

About (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride

(1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride (PubChem CID 160939938) has the molecular formula C112H107BrClF4N19O13 and a molecular weight of 2118.56 g/mol. Its IUPAC name is (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride.

Molecular Properties

• Compound Name: (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride
• PubChem CID: 160939938
• Molecular Formula: C112H107BrClF4N19O13
• Molecular Weight: 2118.56 g/mol
• Exact Mass: 2115.71
• IUPAC Name: (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride
• SMILES: CC1(C)C[C@@H](O)[C@H](N)c2cc(F)c(F)cc21.Cc1cc(N)c(-c2ccccc2)nc1C(=O)O.Cc1cc(NC(=O)Oc2ccccc2)c(-c2ccccc2)nc1Br.Cc1ccc(OC(=O)Nc2cc(C)c(C(=O)NCc3nnc(C)o3)nc2-c2ccccc2)cc1.Cc1nnc(CNC(=O)c2nc(-c3ccccc3)c(N)cc2C)o1.Cl.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)cc1C
• InChI: InChI=1S/C26H24F2N4O2.C25H23N5O4.C19H15BrN2O2.C17H17N5O2.C13H12N2O2.C12H15F2NO.ClH/c1-14-10-20(22(31-24(14)29-4)15-8-6-5-7-9-15)30-25(34)32-23-16-11-18(27)19(28)12-17(16)26(2,3)13-21(23)33;1-15-9-11-19(12-10-15)34-25(32)27-20-13-16(2)22(28-23(20)18-7-5-4-6-8-18)24(31)26-14-21-30-29-17(3)33-21;1-13-12-16(21-19(23)24-15-10-6-3-7-11-15)17(22-18(13)20)14-8-4-2-5-9-14;1-10-8-13(18)16(12-6-4-3-5-7-12)20-15(10)17(23)19-9-14-22-21-11(2)24-14;1-8-7-10(14)12(15-11(8)13(16)17)9-5-3-2-4-6-9;1-12(2)5-10(16)11(15)6-3-8(13)9(14)4-7(6)12;/h5-12,21,23,33H,13H2,1-3H3,(H2,30,32,34);4-13H,14H2,1-3H3,(H,26,31)(H,27,32);2-12H,1H3,(H,21,23);3-8H,9,18H2,1-2H3,(H,19,23);2-7H,14H2,1H3,(H,16,17);3-4,10-11,16H,5,15H2,1-2H3;1H/t21-,23-;;;;;10-,11-;/m1....1./s1
• InChIKey: HIZNRUNGUKIBEC-JHJUTGPASA-N
• XLogP: 22.85
• TPSA: 478.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.56
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride?

The IUPAC name of (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride (CID 160939938) is (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride.

What is the SMILES notation for (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride?

The canonical SMILES for (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride is CC1(C)C[C@@H](O)[C@H](N)c2cc(F)c(F)cc21.Cc1cc(N)c(-c2ccccc2)nc1C(=O)O.Cc1cc(NC(=O)Oc2ccccc2)c(-c2ccccc2)nc1Br.Cc1ccc(OC(=O)Nc2cc(C)c(C(=O)NCc3nnc(C)o3)nc2-c2ccccc2)cc1.Cc1nnc(CNC(=O)c2nc(-c3ccccc3)c(N)cc2C)o1.Cl.[C-]#[N+]c1nc(-c2ccccc2)c(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)cc1C.

What is the InChIKey of (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride?

The InChIKey is HIZNRUNGUKIBEC-JHJUTGPASA-N. The full InChI is InChI=1S/C26H24F2N4O2.C25H23N5O4.C19H15BrN2O2.C17H17N5O2.C13H12N2O2.C12H15F2NO.ClH/c1-14-10-20(22(31-24(14)29-4)15-8-6-5-7-9-15)30-25(34)32-23-16-11-18(27)19(28)12-17(16)26(2,3)13-21(23)33;1-15-9-11-19(12-10-15)34-25(32)27-20-13-16(2)22(28-23(20)18-7-5-4-6-8-18)24(31)26-14-21-30-29-17(3)33-21;1-13-12-16(21-19(23)24-15-10-6-3-7-11-15)17(22-18(13)20)14-8-4-2-5-9-14;1-10-8-13(18)16(12-6-4-3-5-7-12)20-15(10)17(23)19-9-14-22-21-11(2)24-14;1-8-7-10(14)12(15-11(8)13(16)17)9-5-3-2-4-6-9;1-12(2)5-10(16)11(15)6-3-8(13)9(14)4-7(6)12;/h5-12,21,23,33H,13H2,1-3H3,(H2,30,32,34);4-13H,14H2,1-3H3,(H,26,31)(H,27,32);2-12H,1H3,(H,21,23);3-8H,9,18H2,1-2H3,(H,19,23);2-7H,14H2,1H3,(H,16,17);3-4,10-11,16H,5,15H2,1-2H3;1H/t21-,23-;;;;;10-,11-;/m1....1./s1.

What are the key properties of (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride?

(1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride has a molecular weight of 2118.56 g/mol, XLogP of 22.85, 18 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1-amino-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide;5-amino-3-methyl-6-phenylpyridine-2-carboxylic acid;1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;(4-methylphenyl) N-[5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]-2-phenyl-3-pyridinyl]carbamate;phenyl N-(6-bromo-5-methyl-2-phenyl-3-pyridinyl)carbamate;hydrochloride is sourced from PubChem (CID 160939938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).