N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C31H29N3O2 — CID 90162381

IUPACN-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCc1ccc(-c2cccnc2[C@H](Cc2ccccc2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C31H29N3O2/c1-2-21-10-12-23(13-11-21)26-9-6-16-32-31(26)29(17-22-7-4-3-5-8-22)34-30(36)18-24-20-33-28-15-14-25(35)19-27(24)28/h3-16,19-20,29,33,35H,2,17-18H2,1H3,(H,34,36)/t29-/m0/s1
InChIKeyVJZIIBFJTQMRFS-LJAQVGFWSA-N
MW475.59 g/mol
LogP6.14
Rot. Bonds8

About N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 90162381) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID90162381
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC NameN-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCc1ccc(-c2cccnc2[C@H](Cc2ccccc2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C31H29N3O2/c1-2-21-10-12-23(13-11-21)26-9-6-16-32-31(26)29(17-22-7-4-3-5-8-22)34-30(36)18-24-20-33-28-15-14-25(35)19-27(24)28/h3-16,19-20,29,33,35H,2,17-18H2,1H3,(H,34,36)/t29-/m0/s1
InChIKeyVJZIIBFJTQMRFS-LJAQVGFWSA-N
XLogP6.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 71187007
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-sulfamoylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 71186908
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71185371
N-[(1R)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 161431650
N-[2-(3,5-difluorophenyl)-1-[3-(3-sulfamoylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 78035792
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 118357818
N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 148787953
2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide
CID 90162410
2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 90162398
N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 129129766
N-[2-(3,5-difluorophenyl)-1-[3-(3-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 78035788
N-[2-(3-fluorophenyl)-1-(3-penta-1,3-dien-2-yl-2-pyridinyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 123657972

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 90162381) is N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is CCc1ccc(-c2cccnc2[C@H](Cc2ccccc2)NC(=O)Cc2c[nH]c3ccc(O)cc23)cc1.
What is the InChIKey of N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is VJZIIBFJTQMRFS-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-2-21-10-12-23(13-11-21)26-9-6-16-32-31(26)29(17-22-7-4-3-5-8-22)34-30(36)18-24-20-33-28-15-14-25(35)19-27(24)28/h3-16,19-20,29,33,35H,2,17-18H2,1H3,(H,34,36)/t29-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 475.59 g/mol, XLogP of 6.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 90162381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).