6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide

C24H32FN3O4 — CID 126489971

IUPAC6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(O)cc1[C@]1(Cc2[nH]c(=O)c(C(N)=O)cc2C)CCN(CCF)[C@H](C)[C@@]1(C)O
InChIInChI=1S/C24H32FN3O4/c1-14-5-6-17(29)12-19(14)24(7-9-28(10-8-25)16(3)23(24,4)32)13-20-15(2)11-18(21(26)30)22(31)27-20/h5-6,11-12,16,29,32H,7-10,13H2,1-4H3,(H2,26,30)(H,27,31)/t16-,23-,24-/m1/s1
InChIKeyJYYHXVCOYHLHNU-GRFCFPJTSA-N
MW445.54 g/mol
LogP2.09
Rot. Bonds6

About 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide

6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126489971) has the molecular formula C24H32FN3O4 and a molecular weight of 445.54 g/mol. Its IUPAC name is 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126489971
Molecular FormulaC24H32FN3O4
Molecular Weight445.54 g/mol
Exact Mass445.24
IUPAC Name6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(O)cc1[C@]1(Cc2[nH]c(=O)c(C(N)=O)cc2C)CCN(CCF)[C@H](C)[C@@]1(C)O
InChIInChI=1S/C24H32FN3O4/c1-14-5-6-17(29)12-19(14)24(7-9-28(10-8-25)16(3)23(24,4)32)13-20-15(2)11-18(21(26)30)22(31)27-20/h5-6,11-12,16,29,32H,7-10,13H2,1-4H3,(H2,26,30)(H,27,31)/t16-,23-,24-/m1/s1
InChIKeyJYYHXVCOYHLHNU-GRFCFPJTSA-N
XLogP2.09
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 126489971) is 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(O)cc1[C@]1(Cc2[nH]c(=O)c(C(N)=O)cc2C)CCN(CCF)[C@H](C)[C@@]1(C)O.
What is the InChIKey of 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JYYHXVCOYHLHNU-GRFCFPJTSA-N. The full InChI is InChI=1S/C24H32FN3O4/c1-14-5-6-17(29)12-19(14)24(7-9-28(10-8-25)16(3)23(24,4)32)13-20-15(2)11-18(21(26)30)22(31)27-20/h5-6,11-12,16,29,32H,7-10,13H2,1-4H3,(H2,26,30)(H,27,31)/t16-,23-,24-/m1/s1.
What are the key properties of 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S,4R)-1-(2-fluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2,3-dimethylpiperidin-4-yl]methyl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).