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

C25H27FN2O4 — CID 92517586

IUPACethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N[C@@H](C)c2ccccc2)C(=O)C[C@H]1c1ccccc1F
InChIInChI=1S/C25H27FN2O4/c1-4-32-25(31)24-17(3)28(15-22(29)27-16(2)18-10-6-5-7-11-18)23(30)14-20(24)19-12-8-9-13-21(19)26/h5-13,16,20H,4,14-15H2,1-3H3,(H,27,29)/t16-,20-/m0/s1
InChIKeyXRVFQVRNEMKTBO-JXFKEZNVSA-N
MW438.50 g/mol
LogP3.86
Rot. Bonds7

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

ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate (PubChem CID 92517586) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate
PubChem CID92517586
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Nameethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N[C@@H](C)c2ccccc2)C(=O)C[C@H]1c1ccccc1F
InChIInChI=1S/C25H27FN2O4/c1-4-32-25(31)24-17(3)28(15-22(29)27-16(2)18-10-6-5-7-11-18)23(30)14-20(24)19-12-8-9-13-21(19)26/h5-13,16,20H,4,14-15H2,1-3H3,(H,27,29)/t16-,20-/m0/s1
InChIKeyXRVFQVRNEMKTBO-JXFKEZNVSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]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-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4015823
ethyl 1-[2-(benzhydrylamino)-2-oxoethyl]-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 5025158
ethyl 1-[[4-(3,3-diphenylpropylcarbamoyl)phenyl]methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3469835
ethyl 4-(2-fluorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854031
ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3986229
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 3360745
ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3916593
ethyl (4S)-1-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7417222
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42761336
ethyl (4R)-6-methyl-2-oxo-1-[[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 98426825
ethyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854057

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate (CID 92517586) is ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)N[C@@H](C)c2ccccc2)C(=O)C[C@H]1c1ccccc1F.
What is the InChIKey of ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate?
The InChIKey is XRVFQVRNEMKTBO-JXFKEZNVSA-N. The full InChI is InChI=1S/C25H27FN2O4/c1-4-32-25(31)24-17(3)28(15-22(29)27-16(2)18-10-6-5-7-11-18)23(30)14-20(24)19-12-8-9-13-21(19)26/h5-13,16,20H,4,14-15H2,1-3H3,(H,27,29)/t16-,20-/m0/s1.
What are the key properties of ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate?
ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate has a molecular weight of 438.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 92517586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).