N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide

C29H37F2N7O3S — CID 155348178

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide (PubChem CID 155348178) has the molecular formula C29H37F2N7O3S and a molecular weight of 601.72 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide
• PubChem CID: 155348178
• Molecular Formula: C29H37F2N7O3S
• Molecular Weight: 601.72 g/mol
• Exact Mass: 601.26
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide
• SMILES: CN1CCC(N(C)c2cc(C3CCN(S(C)=O)CC3)ccc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1
• InChI: InChI=1S/C29H37F2N7O3S/c1-35-12-10-24(11-13-35)36(2)26-16-21(20-8-14-38(15-9-20)42(3)40)5-7-25(26)37(19-39)18-23-6-4-22(17-32-23)28-33-34-29(41-28)27(30)31/h4-7,16-17,19-20,24,27H,8-15,18H2,1-3H3
• InChIKey: ZKMQOHBPQFHIAM-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 98.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.72
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide (CID 155348178) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide is CN1CCC(N(C)c2cc(C3CCN(S(C)=O)CC3)ccc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide?

The InChIKey is ZKMQOHBPQFHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F2N7O3S/c1-35-12-10-24(11-13-35)36(2)26-16-21(20-8-14-38(15-9-20)42(3)40)5-7-25(26)37(19-39)18-23-6-4-22(17-32-23)28-33-34-29(41-28)27(30)31/h4-7,16-17,19-20,24,27H,8-15,18H2,1-3H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide has a molecular weight of 601.72 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-(1-methylsulfinylpiperidin-4-yl)phenyl]formamide is sourced from PubChem (CID 155348178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).