ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate

C13H20N2O3 — CID 67234223

IUPACethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(NC)cc1=O
InChIInChI=1S/C13H20N2O3/c1-5-7-15-9(3)12(13(17)18-6-2)10(14-4)8-11(15)16/h8,14H,5-7H2,1-4H3
InChIKeyGQUIYFWITMQQAH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate

ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate (PubChem CID 67234223) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate
PubChem CID67234223
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(NC)cc1=O
InChIInChI=1S/C13H20N2O3/c1-5-7-15-9(3)12(13(17)18-6-2)10(14-4)8-11(15)16/h8,14H,5-7H2,1-4H3
InChIKeyGQUIYFWITMQQAH-UHFFFAOYSA-N
XLogP1.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate (CID 67234223) is ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate is CCCn1c(C)c(C(=O)OCC)c(NC)cc1=O.
What is the InChIKey of ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate?
The InChIKey is GQUIYFWITMQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-7-15-9(3)12(13(17)18-6-2)10(14-4)8-11(15)16/h8,14H,5-7H2,1-4H3.
What are the key properties of ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate?
ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxylate is sourced from PubChem (CID 67234223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).