ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate

C12H16N2O4 — CID 113247126

IUPACethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H16N2O4/c1-4-18-11(16)7-14(3)12(17)9-6-13-8(2)5-10(9)15/h5-6H,4,7H2,1-3H3,(H,13,15)
InChIKeyWJGWYKVVMOALBQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds4

About ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate

ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate (PubChem CID 113247126) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate
PubChem CID113247126
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H16N2O4/c1-4-18-11(16)7-14(3)12(17)9-6-13-8(2)5-10(9)15/h5-6H,4,7H2,1-3H3,(H,13,15)
InChIKeyWJGWYKVVMOALBQ-UHFFFAOYSA-N
XLogP0.32
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N,6-dimethyl-4-oxo-N-(trimethylsilylmethyl)-1H-pyridine-3-carboxamide
CID 154765821
N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103918750
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
N,6-dimethyl-N-[(2-methylphenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696213
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate (CID 113247126) is ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The InChIKey is WJGWYKVVMOALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-18-11(16)7-14(3)12(17)9-6-13-8(2)5-10(9)15/h5-6H,4,7H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate?
ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 113247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).