ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate

C16H18N2O3 — CID 172654080

IUPACethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(Cc2ccccc2)c1N
InChIInChI=1S/C16H18N2O3/c1-3-21-16(20)14-11(2)9-13(19)18(15(14)17)10-12-7-5-4-6-8-12/h4-9H,3,10,17H2,1-2H3
InChIKeyKTADFCHIGZKGFB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds4

About ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate

ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate (PubChem CID 172654080) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate
PubChem CID172654080
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(Cc2ccccc2)c1N
InChIInChI=1S/C16H18N2O3/c1-3-21-16(20)14-11(2)9-13(19)18(15(14)17)10-12-7-5-4-6-8-12/h4-9H,3,10,17H2,1-2H3
InChIKeyKTADFCHIGZKGFB-UHFFFAOYSA-N
XLogP1.96
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate (CID 172654080) is ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(Cc2ccccc2)c1N.
What is the InChIKey of ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is KTADFCHIGZKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16(20)14-11(2)9-13(19)18(15(14)17)10-12-7-5-4-6-8-12/h4-9H,3,10,17H2,1-2H3.
What are the key properties of ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate?
ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-benzyl-4-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 172654080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).