1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid

C10H13NO3 — CID 142486641

IUPAC1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c(C)c1C
InChIInChI=1S/C10H13NO3/c1-4-11-5-8(10(13)14)9(12)6(2)7(11)3/h5H,4H2,1-3H3,(H,13,14)
InChIKeyMCRNNDDXTXWIPG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.18
Rot. Bonds2

About 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid

1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 142486641) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
PubChem CID142486641
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c(C)c1C
InChIInChI=1S/C10H13NO3/c1-4-11-5-8(10(13)14)9(12)6(2)7(11)3/h5H,4H2,1-3H3,(H,13,14)
InChIKeyMCRNNDDXTXWIPG-UHFFFAOYSA-N
XLogP1.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 90379692
7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 3045247
3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 15110973
1-ethyl-4,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 12876364
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
1-ethyl-7-[(E)-hydroxyiminomethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 135765348
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
7-ethyl-2-(ethylhydrazinylidene)-4-oxo-3H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 54277814
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-ethyl-6-fluoro-7-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69019500
8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid (CID 142486641) is 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c(C)c1C.
What is the InChIKey of 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is MCRNNDDXTXWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-11-5-8(10(13)14)9(12)6(2)7(11)3/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid?
1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 142486641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).