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

C18H23NO4 — CID 3236446

IUPAC2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C
InChIInChI=1S/C18H23NO4/c1-11(2)10-23-18(21)17-12(3)19-16(20)9-14(17)13-7-5-6-8-15(13)22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20)
InChIKeyOYWMGWTVGDSBLX-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.77
Rot. Bonds5

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

2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 3236446) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID3236446
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C
InChIInChI=1S/C18H23NO4/c1-11(2)10-23-18(21)17-12(3)19-16(20)9-14(17)13-7-5-6-8-15(13)22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20)
InChIKeyOYWMGWTVGDSBLX-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 3236446) is 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is OYWMGWTVGDSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(2)10-23-18(21)17-12(3)19-16(20)9-14(17)13-7-5-6-8-15(13)22-4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 3236446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).