ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate

C17H19NO3 — CID 70690900

IUPACethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(C)cc2)c(=O)[nH]c1C
InChIInChI=1S/C17H19NO3/c1-4-21-17(20)15-10-14(16(19)18-12(15)3)9-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyPGNGLXIHYLFKHP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate

ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70690900) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70690900
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(C)cc2)c(=O)[nH]c1C
InChIInChI=1S/C17H19NO3/c1-4-21-17(20)15-10-14(16(19)18-12(15)3)9-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyPGNGLXIHYLFKHP-UHFFFAOYSA-N
XLogP2.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST061321
CID 2864982
ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275037
ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70684576
ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684577
ethyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 127048145
ethyl 5-cyano-4-(4-cyanophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048146
Ethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 12733237
ethyl 5-[(4-methylphenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684583
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817
ethyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688818
ethyl 5-[(4-bromophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688819
ethyl 5-[(4-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate (CID 70690900) is ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccc(C)cc2)c(=O)[nH]c1C.
What is the InChIKey of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PGNGLXIHYLFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-17(20)15-10-14(16(19)18-12(15)3)9-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,19).
What are the key properties of ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate?
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70690900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).