methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate

C22H20ClFN2O5 — CID 68607305

IUPACmethyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
SMILESCOC(=O)COc1cc(NC(=O)C2=CNC(=O)C[C@@H]2c2ccc(F)cc2)c(C)cc1Cl
InChIInChI=1S/C22H20ClFN2O5/c1-12-7-17(23)19(31-11-21(28)30-2)9-18(12)26-22(29)16-10-25-20(27)8-15(16)13-3-5-14(24)6-4-13/h3-7,9-10,15H,8,11H2,1-2H3,(H,25,27)(H,26,29)/t15-/m1/s1
InChIKeyMPUBHLKRAVGFRU-OAHLLOKOSA-N
MW446.86 g/mol
LogP3.47
Rot. Bonds6

About methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate

methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate (PubChem CID 68607305) has the molecular formula C22H20ClFN2O5 and a molecular weight of 446.86 g/mol. Its IUPAC name is methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
PubChem CID68607305
Molecular FormulaC22H20ClFN2O5
Molecular Weight446.86 g/mol
Exact Mass446.10
IUPAC Namemethyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
SMILESCOC(=O)COc1cc(NC(=O)C2=CNC(=O)C[C@@H]2c2ccc(F)cc2)c(C)cc1Cl
InChIInChI=1S/C22H20ClFN2O5/c1-12-7-17(23)19(31-11-21(28)30-2)9-18(12)26-22(29)16-10-25-20(27)8-15(16)13-3-5-14(24)6-4-13/h3-7,9-10,15H,8,11H2,1-2H3,(H,25,27)(H,26,29)/t15-/m1/s1
InChIKeyMPUBHLKRAVGFRU-OAHLLOKOSA-N
XLogP3.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate with MolForge

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Related Compounds

(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
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378011
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378013
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215659
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67277239
(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794825
(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68606231
N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377997
N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75214852
(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 46832925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate?
The IUPAC name of methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate (CID 68607305) is methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate is COC(=O)COc1cc(NC(=O)C2=CNC(=O)C[C@@H]2c2ccc(F)cc2)c(C)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate?
The InChIKey is MPUBHLKRAVGFRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20ClFN2O5/c1-12-7-17(23)19(31-11-21(28)30-2)9-18(12)26-22(29)16-10-25-20(27)8-15(16)13-3-5-14(24)6-4-13/h3-7,9-10,15H,8,11H2,1-2H3,(H,25,27)(H,26,29)/t15-/m1/s1.
What are the key properties of methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate?
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate has a molecular weight of 446.86 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate is sourced from PubChem (CID 68607305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).