N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C25H27FN4O2 — CID 166166559

IUPACN-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccnc(N4CCC(C)[C@@H](N)C4)c3)c2O)cc1F
InChIInChI=1S/C25H27FN4O2/c1-15-9-11-30(14-22(15)27)24-13-18(8-10-28-24)20-5-3-4-19(25(20)32)17-6-7-23(21(26)12-17)29-16(2)31/h3-8,10,12-13,15,22,32H,9,11,14,27H2,1-2H3,(H,29,31)/t15?,22-/m0/s1
InChIKeyIEVLFPUQIGCWJA-CEISFSOZSA-N
MW434.52 g/mol
LogP4.39
Rot. Bonds4

About N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166166559) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166166559
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccnc(N4CCC(C)[C@@H](N)C4)c3)c2O)cc1F
InChIInChI=1S/C25H27FN4O2/c1-15-9-11-30(14-22(15)27)24-13-18(8-10-28-24)20-5-3-4-19(25(20)32)17-6-7-23(21(26)12-17)29-16(2)31/h3-8,10,12-13,15,22,32H,9,11,14,27H2,1-2H3,(H,29,31)/t15?,22-/m0/s1
InChIKeyIEVLFPUQIGCWJA-CEISFSOZSA-N
XLogP4.39
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
N-[4-[3-(2-chloro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165946
N-[2-fluoro-4-[2-hydroxy-3-(4-piperazin-1-yl-2-pyridinyl)phenyl]phenyl]acetamide
CID 166165621
N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
CID 166167141
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
CID 166167429
N-[4-[3-[3-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166934
N-[2-fluoro-4-[2-hydroxy-3-[3-[(2R)-2-methylpiperazin-1-yl]phenyl]phenyl]phenyl]acetamide
CID 166166341
N-[2-fluoro-4-[2-hydroxy-3-[2-[(4-hydroxy-3-methylbutyl)-methylamino]-4-pyridinyl]phenyl]phenyl]acetamide
CID 171796060
N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165723
N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide
CID 166167308
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
CID 166166170
N-[2-fluoro-4-[2-hydroxy-3-(4-propan-2-yloxyphenyl)phenyl]phenyl]acetamide
CID 166166988

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166166559) is N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccnc(N4CCC(C)[C@@H](N)C4)c3)c2O)cc1F.
What is the InChIKey of N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is IEVLFPUQIGCWJA-CEISFSOZSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-15-9-11-30(14-22(15)27)24-13-18(8-10-28-24)20-5-3-4-19(25(20)32)17-6-7-23(21(26)12-17)29-16(2)31/h3-8,10,12-13,15,22,32H,9,11,14,27H2,1-2H3,(H,29,31)/t15?,22-/m0/s1.
What are the key properties of N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[(3R)-3-amino-4-methylpiperidin-1-yl]-4-pyridinyl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166166559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).