3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol

C18H20F3N3O — CID 91784849

IUPAC3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)cc(NC(Cc2ccccn2)C2CC(O)C2)n1
InChIInChI=1S/C18H20F3N3O/c1-11-6-13(18(19,20)21)9-17(23-11)24-16(12-7-15(25)8-12)10-14-4-2-3-5-22-14/h2-6,9,12,15-16,25H,7-8,10H2,1H3,(H,23,24)
InChIKeyVXUYYHYMOSRIBN-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.60
Rot. Bonds5

About 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol

3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol (PubChem CID 91784849) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol
PubChem CID91784849
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)cc(NC(Cc2ccccn2)C2CC(O)C2)n1
InChIInChI=1S/C18H20F3N3O/c1-11-6-13(18(19,20)21)9-17(23-11)24-16(12-7-15(25)8-12)10-14-4-2-3-5-22-14/h2-6,9,12,15-16,25H,7-8,10H2,1H3,(H,23,24)
InChIKeyVXUYYHYMOSRIBN-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol
CID 91767951
6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166248435
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
CID 23380582
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
CID 91785265
2-N-(3,5-dimethylphenyl)-4-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
CID 89276571

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol?
The IUPAC name of 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol (CID 91784849) is 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol is Cc1cc(C(F)(F)F)cc(NC(Cc2ccccn2)C2CC(O)C2)n1.
What is the InChIKey of 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol?
The InChIKey is VXUYYHYMOSRIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-6-13(18(19,20)21)9-17(23-11)24-16(12-7-15(25)8-12)10-14-4-2-3-5-22-14/h2-6,9,12,15-16,25H,7-8,10H2,1H3,(H,23,24).
What are the key properties of 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol?
3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol has a molecular weight of 351.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol is sourced from PubChem (CID 91784849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).