methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C18H17NO3 — CID 3863296

IUPACmethyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3/c1-11-17(18(21)22-2)15(10-16(20)19-11)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyCUEALFYDGHXPOL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds2

About methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 3863296) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID3863296
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3/c1-11-17(18(21)22-2)15(10-16(20)19-11)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyCUEALFYDGHXPOL-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 3863296) is methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)CC1c1ccc2ccccc2c1.
What is the InChIKey of methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is CUEALFYDGHXPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-17(18(21)22-2)15(10-16(20)19-11)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 3863296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).