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

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

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide (PubChem CID 155729935) has the molecular formula C26H27F5N6O3 and a molecular weight of 566.53 g/mol. Its IUPAC name is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide.

Molecular Properties

Compound Name	N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide
PubChem CID	155729935
Molecular Formula	C26H27F5N6O3
Molecular Weight	566.53 g/mol
Exact Mass	566.21
IUPAC Name	N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide
SMILES	CN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(C(F)(F)F)ccc1N(C=O)C1CCN(C2COC2)CC1
InChI	InChI=1S/C26H27F5N6O3/c1-35(12-18-4-2-16(11-32-18)24-33-34-25(40-24)23(27)28)22-10-17(26(29,30)31)3-5-21(22)37(15-38)19-6-8-36(9-7-19)20-13-39-14-20/h2-5,10-11,15,19-20,23H,6-9,12-14H2,1H3
InChIKey	IRZYDPKPVHHQSJ-UHFFFAOYSA-N
XLogP	4.55
TPSA	87.83 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.53
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide (CID 155729935) is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide.

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

The canonical SMILES for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide is CN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(C(F)(F)F)ccc1N(C=O)C1CCN(C2COC2)CC1.

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

The InChIKey is IRZYDPKPVHHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F5N6O3/c1-35(12-18-4-2-16(11-32-18)24-33-34-25(40-24)23(27)28)22-10-17(26(29,30)31)3-5-21(22)37(15-38)19-6-8-36(9-7-19)20-13-39-14-20/h2-5,10-11,15,19-20,23H,6-9,12-14H2,1H3.

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

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide has a molecular weight of 566.53 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-(trifluoromethyl)phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]formamide is sourced from PubChem (CID 155729935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).