1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide

C8H10N2O4 — CID 89384903

IUPAC1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
SMILESCCn1ccc(O)c(C(=O)NO)c1=O
InChIInChI=1S/C8H10N2O4/c1-2-10-4-3-5(11)6(8(10)13)7(12)9-14/h3-4,11,14H,2H2,1H3,(H,9,12)
InChIKeyMLFPIAKIZYIQFE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.31
Rot. Bonds2

About 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide

1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide (PubChem CID 89384903) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
PubChem CID89384903
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
SMILESCCn1ccc(O)c(C(=O)NO)c1=O
InChIInChI=1S/C8H10N2O4/c1-2-10-4-3-5(11)6(8(10)13)7(12)9-14/h3-4,11,14H,2H2,1H3,(H,9,12)
InChIKeyMLFPIAKIZYIQFE-UHFFFAOYSA-N
XLogP-0.31
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide (CID 89384903) is 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide is CCn1ccc(O)c(C(=O)NO)c1=O.
What is the InChIKey of 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide?
The InChIKey is MLFPIAKIZYIQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-10-4-3-5(11)6(8(10)13)7(12)9-14/h3-4,11,14H,2H2,1H3,(H,9,12).
What are the key properties of 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide?
1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 89384903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).