5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

C9H12N2O3 — CID 84720711

IUPAC5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(N)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3,10H2,1-2H3,(H,13,14)
InChIKeyWQDIDGNCDVGGJJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.23
Rot. Bonds2

About 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84720711) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84720711
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(N)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3,10H2,1-2H3,(H,13,14)
InChIKeyWQDIDGNCDVGGJJ-UHFFFAOYSA-N
XLogP0.23
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-Amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 141878641
5-Amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84727216
2-(3-Amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
CID 18323861
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
2-(3-Amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid
CID 70067627
4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 129054265
4-(Dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid
CID 129054267
1-Ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 146424734
2-(5-Amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid
CID 170163235
3-Amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;ZINC
CID 172592774
3-Amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 172592775
2-(3-Amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid
CID 67574838

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84720711) is 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is CCc1cc(N)c(=O)n(C)c1C(=O)O.
What is the InChIKey of 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is WQDIDGNCDVGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-5-4-6(10)8(12)11(2)7(5)9(13)14/h4H,3,10H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84720711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).