1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C11H14N2O4 — CID 55125652

IUPAC1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCNC(=O)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-12-9(14)6-13-7(2)4-5-8(10(13)15)11(16)17/h4-5H,3,6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyRHYJQVLAUPYHRI-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 55125652) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID55125652
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCNC(=O)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-12-9(14)6-13-7(2)4-5-8(10(13)15)11(16)17/h4-5H,3,6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyRHYJQVLAUPYHRI-UHFFFAOYSA-N
XLogP-0.01
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 176340380
2-Oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
CID 61718184
4,6-Dimethyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
CID 62860528
6-Methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
CID 62876370
2-Hydroxy-5-(2,2,2-trifluoroacetamido)pyridine-3-carboxylic acid
CID 165909072
1-(Carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 18323849
6-Methyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 20312201
1-Oxo-2,6-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 53742449
1-(4-Amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid
CID 57017775
6-[[[Hydroxy(methyl)boranyl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxylic acid
CID 58801023
1-Methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxopyridine-3-carboxylic acid
CID 71170107
4-Oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid
CID 87805682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 55125652) is 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid is CCNC(=O)Cn1c(C)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is RHYJQVLAUPYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-12-9(14)6-13-7(2)4-5-8(10(13)15)11(16)17/h4-5H,3,6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 55125652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).