N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide

C23H20F2N6O2 — CID 155729723

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide
SMILESCN(C)c1cc(-c2ccncc2)ccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C23H20F2N6O2/c1-30(2)20-11-16(15-7-9-26-10-8-15)4-6-19(20)31(14-32)13-18-5-3-17(12-27-18)22-28-29-23(33-22)21(24)25/h3-12,14,21H,13H2,1-2H3
InChIKeyAMWSDFPFOLTOSW-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.36
Rot. Bonds8

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide (PubChem CID 155729723) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide
PubChem CID155729723
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide
SMILESCN(C)c1cc(-c2ccncc2)ccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C23H20F2N6O2/c1-30(2)20-11-16(15-7-9-26-10-8-15)4-6-19(20)31(14-32)13-18-5-3-17(12-27-18)22-28-29-23(33-22)21(24)25/h3-12,14,21H,13H2,1-2H3
InChIKeyAMWSDFPFOLTOSW-UHFFFAOYSA-N
XLogP4.36
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide with MolForge

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Related Compounds

2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-N-ethenyl-4-fluoro-1-N,1-N-dimethyl-5-pyridin-4-ylbenzene-1,2-diamine
CID 155729402
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide
CID 155729857
N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
CID 155729646
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
CID 155348163
N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
CID 155729429
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(2-oxaspiro[3.3]heptan-6-yl)amino]phenyl]formamide
CID 155730127
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
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-methylsulfanylphenyl]formamide
CID 155730088
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide
CID 155729957
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-7-pyridin-4-ylquinazoline-2,4-dione
CID 155730212
N-[(2E,4E)-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-pyridin-4-ylhepta-2,4,6-trien-2-yl]-N-(1-methylpiperidin-4-yl)formamide
CID 155730055
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide (CID 155729723) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide is CN(C)c1cc(-c2ccncc2)ccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide?
The InChIKey is AMWSDFPFOLTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-30(2)20-11-16(15-7-9-26-10-8-15)4-6-19(20)31(14-32)13-18-5-3-17(12-27-18)22-28-29-23(33-22)21(24)25/h3-12,14,21H,13H2,1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-(dimethylamino)-4-pyridin-4-ylphenyl]formamide has a molecular weight of 450.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 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-(dimethylamino)-4-pyridin-4-ylphenyl]formamide is sourced from PubChem (CID 155729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).