N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide

C25H26Cl2F2N6O3 — CID 155729779

About N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide

N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide (PubChem CID 155729779) has the molecular formula C25H26Cl2F2N6O3 and a molecular weight of 567.42 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide.

Molecular Properties

• Compound Name: N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide
• PubChem CID: 155729779
• Molecular Formula: C25H26Cl2F2N6O3
• Molecular Weight: 567.42 g/mol
• Exact Mass: 566.14
• IUPAC Name: N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide
• SMILES: CN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(Cl)c(Cl)cc1N(C=O)C1CCN(C2COC2)CC1
• InChI: InChI=1S/C25H26Cl2F2N6O3/c1-33(11-16-3-2-15(10-30-16)24-31-32-25(38-24)23(28)29)21-8-19(26)20(27)9-22(21)35(14-36)17-4-6-34(7-5-17)18-12-37-13-18/h2-3,8-10,14,17-18,23H,4-7,11-13H2,1H3
• InChIKey: CTNXPIMQDGGDOW-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 87.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.42
LogP ≤ 5	4.84
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-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide?

The IUPAC name of N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide (CID 155729779) is N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide.

What is the SMILES notation for N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide?

The canonical SMILES for N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide is CN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(Cl)c(Cl)cc1N(C=O)C1CCN(C2COC2)CC1.

What is the InChIKey of N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide?

The InChIKey is CTNXPIMQDGGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2F2N6O3/c1-33(11-16-3-2-15(10-30-16)24-31-32-25(38-24)23(28)29)21-8-19(26)20(27)9-22(21)35(14-36)17-4-6-34(7-5-17)18-12-37-13-18/h2-3,8-10,14,17-18,23H,4-7,11-13H2,1H3.

What are the key properties of N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide?

N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide has a molecular weight of 567.42 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dichloro-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide is sourced from PubChem (CID 155729779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).