ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate

C24H26N2O5 — CID 17228728

IUPACethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C24H26N2O5/c1-4-30-19-13-11-17(12-14-19)25-23(28)20-15-21(27)26(18-9-7-6-8-10-18)16(3)22(20)24(29)31-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,25,28)
InChIKeyXVNYZWVIEPXJFF-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.91
Rot. Bonds7

About ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate

ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 17228728) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID17228728
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Nameethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C24H26N2O5/c1-4-30-19-13-11-17(12-14-19)25-23(28)20-15-21(27)26(18-9-7-6-8-10-18)16(3)22(20)24(29)31-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,25,28)
InChIKeyXVNYZWVIEPXJFF-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4R)-4-[(4-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101527
ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228726
ethyl 4-[(4-acetylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035886
ethyl (4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29157978
ethyl 4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035891
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101565
ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228737
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158002
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819
ethyl 4-[3-[4-[[(Z)-2-benzamido-3-(4-ethoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21172679
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (CID 17228728) is ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is XVNYZWVIEPXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-30-19-13-11-17(12-14-19)25-23(28)20-15-21(27)26(18-9-7-6-8-10-18)16(3)22(20)24(29)31-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,25,28).
What are the key properties of ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 17228728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).