ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate

C20H25FN2O4 — CID 7297585

IUPACethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCCNC(=O)CN1C(=O)C[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C20H25FN2O4/c1-4-10-22-17(24)12-23-13(3)19(20(26)27-5-2)16(11-18(23)25)14-6-8-15(21)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyAGXZYWPRXHMJDU-INIZCTEOSA-N
MW376.43 g/mol
LogP2.50
Rot. Bonds7

About ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate

ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate (PubChem CID 7297585) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
PubChem CID7297585
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Nameethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCCNC(=O)CN1C(=O)C[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C20H25FN2O4/c1-4-10-22-17(24)12-23-13(3)19(20(26)27-5-2)16(11-18(23)25)14-6-8-15(21)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyAGXZYWPRXHMJDU-INIZCTEOSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761268
ethyl 1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761264
ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(pentylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4001482
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 4-(4-chlorophenyl)-1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761258
ethyl (4R)-1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7482271
ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761312
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
ethyl 1-[2-(benzylamino)-2-oxoethyl]-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 4994440
ethyl 6-methyl-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42761348
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate (CID 7297585) is ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate is CCCNC(=O)CN1C(=O)C[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C1C.
What is the InChIKey of ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The InChIKey is AGXZYWPRXHMJDU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-4-10-22-17(24)12-23-13(3)19(20(26)27-5-2)16(11-18(23)25)14-6-8-15(21)9-7-14/h6-9,16H,4-5,10-12H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 7297585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).