ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H17NO3 — CID 70688817

IUPACethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C16H17NO3/c1-3-20-16(19)14-10-13(15(18)17-11(14)2)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyPCXQIQQNBIZFJQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds4

About ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70688817) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70688817
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C16H17NO3/c1-3-20-16(19)14-10-13(15(18)17-11(14)2)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyPCXQIQQNBIZFJQ-UHFFFAOYSA-N
XLogP2.45
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 70688817) is ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PCXQIQQNBIZFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-20-16(19)14-10-13(15(18)17-11(14)2)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70688817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).