ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C29H33FN2O5 — CID 3507079

IUPACethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)C(=O)CC1c1cccc(F)c1
InChIInChI=1S/C29H33FN2O5/c1-5-36-29(35)27-20(4)32(26(33)14-25(27)23-7-6-8-24(30)13-23)17-21-9-11-22(12-10-21)28(34)31-15-18(2)37-19(3)16-31/h6-13,18-19,25H,5,14-17H2,1-4H3
InChIKeyZRIUSBNSGPVRKF-UHFFFAOYSA-N
MW508.59 g/mol
LogP4.43
Rot. Bonds6

About ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 3507079) has the molecular formula C29H33FN2O5 and a molecular weight of 508.59 g/mol. Its IUPAC name is ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID3507079
Molecular FormulaC29H33FN2O5
Molecular Weight508.59 g/mol
Exact Mass508.24
IUPAC Nameethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)C(=O)CC1c1cccc(F)c1
InChIInChI=1S/C29H33FN2O5/c1-5-36-29(35)27-20(4)32(26(33)14-25(27)23-7-6-8-24(30)13-23)17-21-9-11-22(12-10-21)28(34)31-15-18(2)37-19(3)16-31/h6-13,18-19,25H,5,14-17H2,1-4H3
InChIKeyZRIUSBNSGPVRKF-UHFFFAOYSA-N
XLogP4.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-chlorophenyl)-1-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4016830
ethyl 4-(3-fluorophenyl)-6-methyl-1-[[4-[(4-methylphenyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4637466
ethyl 1-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4037947
ethyl 1-ethyl-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854462
ethyl 1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 4538971
ethyl (4R)-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 92517496
ethyl 1-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 5013341
ethyl 1-[[3-(benzhydrylcarbamoyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4567770
ethyl 6-methyl-2-oxo-4-phenyl-1-[[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 4272843
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3399911
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
ethyl 6-methyl-1-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 42761190

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 3507079) is ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)C(=O)CC1c1cccc(F)c1.
What is the InChIKey of ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is ZRIUSBNSGPVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O5/c1-5-36-29(35)27-20(4)32(26(33)14-25(27)23-7-6-8-24(30)13-23)17-21-9-11-22(12-10-21)28(34)31-15-18(2)37-19(3)16-31/h6-13,18-19,25H,5,14-17H2,1-4H3.
What are the key properties of ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 508.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 3507079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).