2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide

C11H17N3O4 — CID 67569476

IUPAC2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNCCO)c(O)c1C(N)=O
InChIInChI=1S/C11H17N3O4/c1-7-6-8(16)14(4-2-13-3-5-15)11(18)9(7)10(12)17/h6,13,15,18H,2-5H2,1H3,(H2,12,17)
InChIKeyQMPOTBMPQTVLLS-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.46
Rot. Bonds6

About 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide

2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 67569476) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID67569476
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNCCO)c(O)c1C(N)=O
InChIInChI=1S/C11H17N3O4/c1-7-6-8(16)14(4-2-13-3-5-15)11(18)9(7)10(12)17/h6,13,15,18H,2-5H2,1H3,(H2,12,17)
InChIKeyQMPOTBMPQTVLLS-UHFFFAOYSA-N
XLogP-1.46
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-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 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide (CID 67569476) is 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(CCNCCO)c(O)c1C(N)=O.
What is the InChIKey of 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is QMPOTBMPQTVLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-6-8(16)14(4-2-13-3-5-15)11(18)9(7)10(12)17/h6,13,15,18H,2-5H2,1H3,(H2,12,17).
What are the key properties of 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide?
2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 67569476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).