methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate

C13H18N2O4 — CID 66489711

IUPACmethyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)CCN(C)C)c(C)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8-9(11(16)5-6-15(2)3)7-10(12(17)14-8)13(18)19-4/h7H,5-6H2,1-4H3,(H,14,17)
InChIKeyQZWGPMCGKPSGRS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.60
Rot. Bonds5

About methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate

methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 66489711) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID66489711
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)CCN(C)C)c(C)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8-9(11(16)5-6-15(2)3)7-10(12(17)14-8)13(18)19-4/h7H,5-6H2,1-4H3,(H,14,17)
InChIKeyQZWGPMCGKPSGRS-UHFFFAOYSA-N
XLogP0.60
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 66489711) is methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(C(=O)CCN(C)C)c(C)[nH]c1=O.
What is the InChIKey of methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QZWGPMCGKPSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-9(11(16)5-6-15(2)3)7-10(12(17)14-8)13(18)19-4/h7H,5-6H2,1-4H3,(H,14,17).
What are the key properties of methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(dimethylamino)propanoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66489711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).