ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C20H20N2O4 — CID 6500339

IUPACethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-26-20(25)18-12(2)21-17(23)11-15(18)19(24)22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKWSXKNWGGHLAEN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.75
Rot. Bonds4

About ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 6500339) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID6500339
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-26-20(25)18-12(2)21-17(23)11-15(18)19(24)22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKWSXKNWGGHLAEN-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 6500339) is ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is KWSXKNWGGHLAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-26-20(25)18-12(2)21-17(23)11-15(18)19(24)22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 6500339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).