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

C22H20N2O4 — CID 118694362

IUPAC(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(C#N)cc1
InChIInChI=1S/C22H20N2O4/c1-14-21(22(26)28-13-17-5-3-4-6-19(17)27-2)18(11-20(25)24-14)16-9-7-15(12-23)8-10-16/h3-10,18H,11,13H2,1-2H3,(H,24,25)
InChIKeyTWTYLGNNXDPVKY-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.19
Rot. Bonds5

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

(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 118694362) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID118694362
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(C#N)cc1
InChIInChI=1S/C22H20N2O4/c1-14-21(22(26)28-13-17-5-3-4-6-19(17)27-2)18(11-20(25)24-14)16-9-7-15(12-23)8-10-16/h3-10,18H,11,13H2,1-2H3,(H,24,25)
InChIKeyTWTYLGNNXDPVKY-UHFFFAOYSA-N
XLogP3.19
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 118694362) is (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COc1ccccc1COC(=O)C1=C(C)NC(=O)CC1c1ccc(C#N)cc1.
What is the InChIKey of (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is TWTYLGNNXDPVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-21(22(26)28-13-17-5-3-4-6-19(17)27-2)18(11-20(25)24-14)16-9-7-15(12-23)8-10-16/h3-10,18H,11,13H2,1-2H3,(H,24,25).
What are the key properties of (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
(2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 118694362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).