2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol

C22H22FN3O — CID 66962287

IUPAC2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(NC1CCC1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c23-19-10-8-16(9-11-19)21(26-20-6-1-7-20)22(27,17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-21,26-27H,1,6-7H2
InChIKeyBPOGZQLRJMYGIF-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.73
Rot. Bonds6

About 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol

2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol (PubChem CID 66962287) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
PubChem CID66962287
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(NC1CCC1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c23-19-10-8-16(9-11-19)21(26-20-6-1-7-20)22(27,17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-21,26-27H,1,6-7H2
InChIKeyBPOGZQLRJMYGIF-UHFFFAOYSA-N
XLogP3.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine
CID 66962787
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11546957
2-(4-fluorophenyl)-2-(3-methylsulfanylazetidin-1-yl)-1,1-dipyridin-3-ylethanol
CID 66962922
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
CID 67959177
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one
CID 11696556
tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid
CID 66962702
azetidin-3-yl N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-N-phenylcarbamate
CID 67011044
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
CID 66961791

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol (CID 66962287) is 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol is OC(c1cccnc1)(c1cccnc1)C(NC1CCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol?
The InChIKey is BPOGZQLRJMYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-10-8-16(9-11-19)21(26-20-6-1-7-20)22(27,17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-21,26-27H,1,6-7H2.
What are the key properties of 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol?
2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol has a molecular weight of 363.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 66962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).