5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide

C30H34F2N4O4 — CID 137423093

About 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide

5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide (PubChem CID 137423093) has the molecular formula C30H34F2N4O4 and a molecular weight of 552.62 g/mol. Its IUPAC name is 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide
• PubChem CID: 137423093
• Molecular Formula: C30H34F2N4O4
• Molecular Weight: 552.62 g/mol
• Exact Mass: 552.25
• IUPAC Name: 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide
• SMILES: Cc1cc(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1C(=O)NCC(C)(C)O
• InChI: InChI=1S/C30H34F2N4O4/c1-16-11-22(25(17-9-7-6-8-10-17)35-24(16)27(38)33-15-30(4,5)40)34-28(39)36-26-18-12-20(31)21(32)13-19(18)29(2,3)14-23(26)37/h6-13,23,26,37,40H,14-15H2,1-5H3,(H,33,38)(H2,34,36,39)/t23-,26-/m1/s1
• InChIKey: HKEDCKVVMMHNIQ-ZEQKJWHPSA-N
• XLogP: 4.74
• TPSA: 123.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.62
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide?

The IUPAC name of 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide (CID 137423093) is 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide.

What is the SMILES notation for 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide?

The canonical SMILES for 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide is Cc1cc(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1C(=O)NCC(C)(C)O.

What is the InChIKey of 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide?

The InChIKey is HKEDCKVVMMHNIQ-ZEQKJWHPSA-N. The full InChI is InChI=1S/C30H34F2N4O4/c1-16-11-22(25(17-9-7-6-8-10-17)35-24(16)27(38)33-15-30(4,5)40)34-28(39)36-26-18-12-20(31)21(32)13-19(18)29(2,3)14-23(26)37/h6-13,23,26,37,40H,14-15H2,1-5H3,(H,33,38)(H2,34,36,39)/t23-,26-/m1/s1.

What are the key properties of 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide?

5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide has a molecular weight of 552.62 g/mol, XLogP of 4.74, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 137423093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).