(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C23H25NO4 — CID 15989857

IUPAC(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C23H25NO4/c1-4-27-20-8-6-5-7-18(20)19-13-21(25)24-16(3)22(19)23(26)28-14-17-11-9-15(2)10-12-17/h5-12,19H,4,13-14H2,1-3H3,(H,24,25)
InChIKeyTYANZMSFFRTDJQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.01
Rot. Bonds6

About (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 15989857) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID15989857
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C23H25NO4/c1-4-27-20-8-6-5-7-18(20)19-13-21(25)24-16(3)22(19)23(26)28-14-17-11-9-15(2)10-12-17/h5-12,19H,4,13-14H2,1-3H3,(H,24,25)
InChIKeyTYANZMSFFRTDJQ-UHFFFAOYSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 15989857) is (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is TYANZMSFFRTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-27-20-8-6-5-7-18(20)19-13-21(25)24-16(3)22(19)23(26)28-14-17-11-9-15(2)10-12-17/h5-12,19H,4,13-14H2,1-3H3,(H,24,25).
What are the key properties of (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
(4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 15989857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).