N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide

C27H25N3O3 — CID 57425636

IUPACN-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C27H25N3O3/c31-25(20-33-19-21-9-3-1-4-10-21)30-26(22-11-5-2-6-12-22)27(32,23-13-7-15-28-17-23)24-14-8-16-29-18-24/h1-18,26,32H,19-20H2,(H,30,31)/t26-/m1/s1
InChIKeyUGRFKRJFUGGWLR-AREMUKBSSA-N
MW439.52 g/mol
LogP3.79
Rot. Bonds9

About N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide

N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide (PubChem CID 57425636) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
PubChem CID57425636
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C27H25N3O3/c31-25(20-33-19-21-9-3-1-4-10-21)30-26(22-11-5-2-6-12-22)27(32,23-13-7-15-28-17-23)24-14-8-16-29-18-24/h1-18,26,32H,19-20H2,(H,30,31)/t26-/m1/s1
InChIKeyUGRFKRJFUGGWLR-AREMUKBSSA-N
XLogP3.79
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
CID 70796512
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
methyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]methanimidate
CID 59706143
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
butyl N-[1-[(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 70796481
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide (CID 57425636) is N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide?
The InChIKey is UGRFKRJFUGGWLR-AREMUKBSSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25(20-33-19-21-9-3-1-4-10-21)30-26(22-11-5-2-6-12-22)27(32,23-13-7-15-28-17-23)24-14-8-16-29-18-24/h1-18,26,32H,19-20H2,(H,30,31)/t26-/m1/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide?
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide has a molecular weight of 439.52 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 57425636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).