1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

C26H25F2N3O5 — CID 130315098

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 130315098) has the molecular formula C26H25F2N3O5 and a molecular weight of 497.50 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 130315098
• Molecular Formula: C26H25F2N3O5
• Molecular Weight: 497.50 g/mol
• Exact Mass: 497.18
• IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(C[C@@H](C)CO)c1
• InChI: InChI=1S/C26H25F2N3O5/c1-15(14-32)12-31-13-17(4-8-22(31)33)23-16(2)3-7-21(29-23)30-24(34)25(9-10-25)18-5-6-19-20(11-18)36-26(27,28)35-19/h3-8,11,13,15,32H,9-10,12,14H2,1-2H3,(H,29,30,34)/t15-/m1/s1
• InChIKey: BPCBXGOEOGDRMB-OAHLLOKOSA-N
• XLogP: 3.84
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.50
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 130315098) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(C[C@@H](C)CO)c1.

What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is BPCBXGOEOGDRMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H25F2N3O5/c1-15(14-32)12-31-13-17(4-8-22(31)33)23-16(2)3-7-21(29-23)30-24(34)25(9-10-25)18-5-6-19-20(11-18)36-26(27,28)35-19/h3-8,11,13,15,32H,9-10,12,14H2,1-2H3,(H,29,30,34)/t15-/m1/s1.

What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-[(2R)-3-hydroxy-2-methylpropyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130315098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).