N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

C43H41F4N9O7 — CID 161074600

About N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 161074600) has the molecular formula C43H41F4N9O7 and a molecular weight of 871.85 g/mol. Its IUPAC name is N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
• PubChem CID: 161074600
• Molecular Formula: C43H41F4N9O7
• Molecular Weight: 871.85 g/mol
• Exact Mass: 871.31
• IUPAC Name: N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
• SMILES: O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)N2CC3(COC3)C2)c2ccccc2)nc1.O=C(N1CC2(COC2)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1
• InChI: InChI=1S/C22H22F2N4O4.C21H19F2N5O3/c23-19(24)20(30)26-9-18(29)15-6-7-16(25-8-15)10-28(17-4-2-1-3-5-17)21(31)27-11-22(12-27)13-32-14-22;22-17(23)19-26-25-18(31-19)14-6-7-15(24-8-14)9-28(16-4-2-1-3-5-16)20(29)27-10-21(11-27)12-30-13-21/h1-8,19H,9-14H2,(H,26,30);1-8,17H,9-13H2
• InChIKey: UFCFZVKODDSULG-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 176.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.85
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?

The IUPAC name of N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (CID 161074600) is N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.

What is the SMILES notation for N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?

The canonical SMILES for N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)N2CC3(COC3)C2)c2ccccc2)nc1.O=C(N1CC2(COC2)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1.

What is the InChIKey of N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?

The InChIKey is UFCFZVKODDSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4.C21H19F2N5O3/c23-19(24)20(30)26-9-18(29)15-6-7-16(25-8-15)10-28(17-4-2-1-3-5-17)21(31)27-11-22(12-27)13-32-14-22;22-17(23)19-26-25-18(31-19)14-6-7-15(24-8-14)9-28(16-4-2-1-3-5-16)20(29)27-10-21(11-27)12-30-13-21/h1-8,19H,9-14H2,(H,26,30);1-8,17H,9-13H2.

What are the key properties of N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?

N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 871.85 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 161074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).