ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate

C26H32N2O5 — CID 4290824

IUPACethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCC(C)C)o2)C(=O)CC1c1ccccc1
InChIInChI=1S/C26H32N2O5/c1-5-32-26(31)24-18(4)28(23(29)15-21(24)19-9-7-6-8-10-19)16-20-11-12-22(33-20)25(30)27-14-13-17(2)3/h6-12,17,21H,5,13-16H2,1-4H3,(H,27,30)
InChIKeyDLAOJAIZQLCTOE-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.41
Rot. Bonds9

About ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate

ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 4290824) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID4290824
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Nameethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCC(C)C)o2)C(=O)CC1c1ccccc1
InChIInChI=1S/C26H32N2O5/c1-5-32-26(31)24-18(4)28(23(29)15-21(24)19-9-7-6-8-10-19)16-20-11-12-22(33-20)25(30)27-14-13-17(2)3/h6-12,17,21H,5,13-16H2,1-4H3,(H,27,30)
InChIKeyDLAOJAIZQLCTOE-UHFFFAOYSA-N
XLogP4.41
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4R)-6-methyl-2-oxo-4-phenyl-1-[[5-(propylcarbamoyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 7440057
ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 5189071
ethyl 1-[[5-(hexylcarbamoyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 4619626
ethyl 6-methyl-2-oxo-4-phenyl-1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3900834
ethyl 6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761455
ethyl (4S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331639
ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 3409575
ethyl 6-methyl-2-oxo-1-[[4-(2-phenylethylcarbamoyl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42662669
ethyl 1-[[4-(3,3-diphenylpropylcarbamoyl)phenyl]methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3469835
prop-2-enyl 1-[(5-methoxycarbonylfuran-2-yl)methyl]-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854252
ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3986229
ethyl 4-(3-chlorophenyl)-1-[[4-(2-methoxyethylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761227

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate (CID 4290824) is ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCC(C)C)o2)C(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is DLAOJAIZQLCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-5-32-26(31)24-18(4)28(23(29)15-21(24)19-9-7-6-8-10-19)16-20-11-12-22(33-20)25(30)27-14-13-17(2)3/h6-12,17,21H,5,13-16H2,1-4H3,(H,27,30).
What are the key properties of ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 452.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 4290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).