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

C17H21NO4 — CID 2997006

IUPACpropan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OC(C)C
InChIInChI=1S/C17H21NO4/c1-10(2)22-17(20)16-11(3)18-15(19)9-13(16)12-7-5-6-8-14(12)21-4/h5-8,10,13H,9H2,1-4H3,(H,18,19)
InChIKeyPKPWHMLXGCHOFF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.52
Rot. Bonds4

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

propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2997006) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2997006
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namepropan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OC(C)C
InChIInChI=1S/C17H21NO4/c1-10(2)22-17(20)16-11(3)18-15(19)9-13(16)12-7-5-6-8-14(12)21-4/h5-8,10,13H,9H2,1-4H3,(H,18,19)
InChIKeyPKPWHMLXGCHOFF-UHFFFAOYSA-N
XLogP2.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2997006) is propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is PKPWHMLXGCHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10(2)22-17(20)16-11(3)18-15(19)9-13(16)12-7-5-6-8-14(12)21-4/h5-8,10,13H,9H2,1-4H3,(H,18,19).
What are the key properties of propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2997006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).