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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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).