ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate

C24H25NO4 — CID 134913831

IUPACethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(OCC)c2ccccc2)c(=O)n(C)c1-c1ccccc1
InChIInChI=1S/C24H25NO4/c1-4-28-22(18-14-10-7-11-15-18)20-16-19(24(27)29-5-2)21(25(3)23(20)26)17-12-8-6-9-13-17/h6-16,22H,4-5H2,1-3H3
InChIKeyKRAYYRQVOWQCEG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.35
Rot. Bonds7

About ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate

ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate (PubChem CID 134913831) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate
PubChem CID134913831
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(OCC)c2ccccc2)c(=O)n(C)c1-c1ccccc1
InChIInChI=1S/C24H25NO4/c1-4-28-22(18-14-10-7-11-15-18)20-16-19(24(27)29-5-2)21(25(3)23(20)26)17-12-8-6-9-13-17/h6-16,22H,4-5H2,1-3H3
InChIKeyKRAYYRQVOWQCEG-UHFFFAOYSA-N
XLogP4.35
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 15124790
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CID 5459622
benzyl 1-benzyl-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 44825786
Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
CID 372864
N-(3-(Benzoyloxy)-1-methylbutyl)-N-methylbenzamide
CID 90020922
[(1S,4R)-4-(3-benzyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl] benzoate
CID 137647958
[(1S,4R)-4-(3-benzoyl-6-methyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl] benzoate
CID 137654664
[(1S,4R)-4-[3-[(3,5-dimethylphenyl)methyl]-6-methyl-2,4-dioxopyrimidin-1-yl]cyclopent-2-en-1-yl] benzoate
CID 137659795
[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate
CID 164623671
Benzyl 1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2794054
[4-[3-[(4-Methylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]cyclopent-2-en-1-yl] benzoate
CID 76311212
[4-(3-Benzyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl] benzoate
CID 76318431

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate (CID 134913831) is ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C(OCC)c2ccccc2)c(=O)n(C)c1-c1ccccc1.
What is the InChIKey of ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate?
The InChIKey is KRAYYRQVOWQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-28-22(18-14-10-7-11-15-18)20-16-19(24(27)29-5-2)21(25(3)23(20)26)17-12-8-6-9-13-17/h6-16,22H,4-5H2,1-3H3.
What are the key properties of ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate?
ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 134913831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).