4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one

C26H36FN5O2 — CID 146237918

IUPAC4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
SMILESCN(/C(N)=C/C=C(\N)c1c(O)cc(-c2ccn(C)c(=O)c2)cc1F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H36FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22(29)8-7-20(28)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15,28-29H2,1-6H3/b20-7-,22-8+
InChIKeyOLEGRKQRAXNBRS-DBAYJNNLSA-N
MW469.61 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one

4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one (PubChem CID 146237918) has the molecular formula C26H36FN5O2 and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
PubChem CID146237918
Molecular FormulaC26H36FN5O2
Molecular Weight469.61 g/mol
Exact Mass469.29
IUPAC Name4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
SMILESCN(/C(N)=C/C=C(\N)c1c(O)cc(-c2ccn(C)c(=O)c2)cc1F)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H36FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22(29)8-7-20(28)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15,28-29H2,1-6H3/b20-7-,22-8+
InChIKeyOLEGRKQRAXNBRS-DBAYJNNLSA-N
XLogP3.24
TPSA109.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one (CID 146237918) is 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one is CN(/C(N)=C/C=C(\N)c1c(O)cc(-c2ccn(C)c(=O)c2)cc1F)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one?
The InChIKey is OLEGRKQRAXNBRS-DBAYJNNLSA-N. The full InChI is InChI=1S/C26H36FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22(29)8-7-20(28)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15,28-29H2,1-6H3/b20-7-,22-8+.
What are the key properties of 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one?
4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one has a molecular weight of 469.61 g/mol, XLogP of 3.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 146237918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).