2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

C30H34FN3O6 — CID 148663581

IUPAC2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)cc3)n2)ccc1OCC(N)=O
InChIInChI=1S/C30H34FN3O6/c1-18(35)34-29(2,3)21-15-23(19-6-9-22(31)10-7-19)33-27(16-21)30(4,38)13-12-24(36)20-8-11-25(26(14-20)39-5)40-17-28(32)37/h6-11,14-16,38H,12-13,17H2,1-5H3,(H2,32,37)(H,34,35)
InChIKeyNOGYACKQFFRNHI-UHFFFAOYSA-N
MW551.62 g/mol
LogP4.00
Rot. Bonds12

About 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (PubChem CID 148663581) has the molecular formula C30H34FN3O6 and a molecular weight of 551.62 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
PubChem CID148663581
Molecular FormulaC30H34FN3O6
Molecular Weight551.62 g/mol
Exact Mass551.24
IUPAC Name2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)cc3)n2)ccc1OCC(N)=O
InChIInChI=1S/C30H34FN3O6/c1-18(35)34-29(2,3)21-15-23(19-6-9-22(31)10-7-19)33-27(16-21)30(4,38)13-12-24(36)20-8-11-25(26(14-20)39-5)40-17-28(32)37/h6-11,14-16,38H,12-13,17H2,1-5H3,(H2,32,37)(H,34,35)
InChIKeyNOGYACKQFFRNHI-UHFFFAOYSA-N
XLogP4.00
TPSA140.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.62
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502998
2-[3-Methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]quinoline-4-carboxylic acid
CID 164618078
2-[4-[2-(2-Fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid
CID 164624103
2-[3-Methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]quinoline-4-carboxylic acid
CID 164628591
US11420976, Example 14
CID 156809848
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 1
CID 156809900
US11420976, Example 9
CID 158470136
US11420976, Example 13
CID 162459431
US11420976, Example 51
CID 163884105
US11420976, Example 7
CID 165436682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (CID 148663581) is 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)cc3)n2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The InChIKey is NOGYACKQFFRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O6/c1-18(35)34-29(2,3)21-15-23(19-6-9-22(31)10-7-19)33-27(16-21)30(4,38)13-12-24(36)20-8-11-25(26(14-20)39-5)40-17-28(32)37/h6-11,14-16,38H,12-13,17H2,1-5H3,(H2,32,37)(H,34,35).
What are the key properties of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 551.62 g/mol, XLogP of 4.00, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 148663581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).