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-(oxan-4-yl)pyridine-2-carboxamide

C29H38F2N4O5 — CID 137422983

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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 137422983) has the molecular formula C29H38F2N4O5 and a molecular weight of 560.64 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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-2-carboxamide
• PubChem CID: 137422983
• Molecular Formula: C29H38F2N4O5
• Molecular Weight: 560.64 g/mol
• Exact Mass: 560.28
• 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-(oxan-4-yl)pyridine-2-carboxamide
• SMILES: Cc1cc(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(C2CCOCC2)nc1C(=O)NCC(C)(C)O
• InChI: InChI=1S/C29H38F2N4O5/c1-15-10-21(24(16-6-8-40-9-7-16)34-23(15)26(37)32-14-29(4,5)39)33-27(38)35-25-17-11-19(30)20(31)12-18(17)28(2,3)13-22(25)36/h10-12,16,22,25,36,39H,6-9,13-14H2,1-5H3,(H,32,37)(H2,33,35,38)/t22-,25-/m1/s1
• InChIKey: KGAUWFMOVDTXQP-RCZVLFRGSA-N
• XLogP: 3.97
• TPSA: 132.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.64
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-2-carboxamide (CID 137422983) 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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)N[C@@H]2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(C2CCOCC2)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-(oxan-4-yl)pyridine-2-carboxamide?

The InChIKey is KGAUWFMOVDTXQP-RCZVLFRGSA-N. The full InChI is InChI=1S/C29H38F2N4O5/c1-15-10-21(24(16-6-8-40-9-7-16)34-23(15)26(37)32-14-29(4,5)39)33-27(38)35-25-17-11-19(30)20(31)12-18(17)28(2,3)13-22(25)36/h10-12,16,22,25,36,39H,6-9,13-14H2,1-5H3,(H,32,37)(H2,33,35,38)/t22-,25-/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-(oxan-4-yl)pyridine-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-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 560.64 g/mol, XLogP of 3.97, 6 rotatable bonds, 5 hydrogen bond donors, and 6 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-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 137422983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).