(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C23H24ClFN2O5 — CID 68604347

IUPAC(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOC[C@H](O)COc1cc(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c(C)cc1Cl
InChIInChI=1S/C23H24ClFN2O5/c1-13-7-19(24)21(32-12-16(28)11-31-2)9-20(13)27-23(30)18-10-26-22(29)8-17(18)14-3-5-15(25)6-4-14/h3-7,9-10,16-17,28H,8,11-12H2,1-2H3,(H,26,29)(H,27,30)/t16-,17-/m0/s1
InChIKeyWAXBHDHQAVIMOL-IRXDYDNUSA-N
MW462.91 g/mol
LogP3.30
Rot. Bonds8

About (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 68604347) has the molecular formula C23H24ClFN2O5 and a molecular weight of 462.91 g/mol. Its IUPAC name is (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID68604347
Molecular FormulaC23H24ClFN2O5
Molecular Weight462.91 g/mol
Exact Mass462.14
IUPAC Name(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOC[C@H](O)COc1cc(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c(C)cc1Cl
InChIInChI=1S/C23H24ClFN2O5/c1-13-7-19(24)21(32-12-16(28)11-31-2)9-20(13)27-23(30)18-10-26-22(29)8-17(18)14-3-5-15(25)6-4-14/h3-7,9-10,16-17,28H,8,11-12H2,1-2H3,(H,26,29)(H,27,30)/t16-,17-/m0/s1
InChIKeyWAXBHDHQAVIMOL-IRXDYDNUSA-N
XLogP3.30
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 68604347) is (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is COC[C@H](O)COc1cc(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c(C)cc1Cl.
What is the InChIKey of (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is WAXBHDHQAVIMOL-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H24ClFN2O5/c1-13-7-19(24)21(32-12-16(28)11-31-2)9-20(13)27-23(30)18-10-26-22(29)8-17(18)14-3-5-15(25)6-4-14/h3-7,9-10,16-17,28H,8,11-12H2,1-2H3,(H,26,29)(H,27,30)/t16-,17-/m0/s1.
What are the key properties of (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 462.91 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 68604347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).