N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide

C28H26FN3O2 — CID 57425638

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C28H26FN3O2/c29-25-15-13-22(14-16-25)27(32-26(33)12-4-9-21-7-2-1-3-8-21)28(34,23-10-5-17-30-19-23)24-11-6-18-31-20-24/h1-3,5-8,10-11,13-20,27,34H,4,9,12H2,(H,32,33)/t27-/m1/s1
InChIKeySERDRYISRDYVOG-HHHXNRCGSA-N
MW455.53 g/mol
LogP4.73
Rot. Bonds9

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide (PubChem CID 57425638) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
PubChem CID57425638
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C28H26FN3O2/c29-25-15-13-22(14-16-25)27(32-26(33)12-4-9-21-7-2-1-3-8-21)28(34,23-10-5-17-30-19-23)24-11-6-18-31-20-24/h1-3,5-8,10-11,13-20,27,34H,4,9,12H2,(H,32,33)/t27-/m1/s1
InChIKeySERDRYISRDYVOG-HHHXNRCGSA-N
XLogP4.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
CID 70796512
methyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]methanimidate
CID 59706143
tert-butyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 59706147
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11546957
butyl N-[1-[(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 70796481
2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
CID 66962287
N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
CID 22261775
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide (CID 57425638) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide?
The InChIKey is SERDRYISRDYVOG-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H26FN3O2/c29-25-15-13-22(14-16-25)27(32-26(33)12-4-9-21-7-2-1-3-8-21)28(34,23-10-5-17-30-19-23)24-11-6-18-31-20-24/h1-3,5-8,10-11,13-20,27,34H,4,9,12H2,(H,32,33)/t27-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide has a molecular weight of 455.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide is sourced from PubChem (CID 57425638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).