5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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

C100H104BrN15O11 — CID 159406394

About 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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

5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 159406394) has the molecular formula C100H104BrN15O11 and a molecular weight of 1771.93 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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: 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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: 159406394
• Molecular Formula: C100H104BrN15O11
• Molecular Weight: 1771.93 g/mol
• Exact Mass: 1769.72
• IUPAC Name: 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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: 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)NC2c3ccc(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.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;1-8-6-10(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);2,6-7H,3-5,12H2,1H3/t21-,23?;;;;/m1..../s1
• InChIKey: LNZWKVPFJLSEIB-ZOGDADHBSA-N
• XLogP: 20.20
• TPSA: 371.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.93
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 159406394) is 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 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)NC2c3ccc(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 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 LNZWKVPFJLSEIB-ZOGDADHBSA-N. The full InChI is InChI=1S/C26H25BrN4O2.C25H27N3O4.C21H17N3O2.C17H21N3O2.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;1-8-6-10(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);2,6-7H,3-5,12H2,1H3/t21-,23?;;;;/m1..../s1.

What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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?

5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 1771.93 g/mol, XLogP of 20.20, 17 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(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 159406394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).