N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide

C9H13N3O3 — CID 65031598

IUPACN-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CO)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-6(5-13)2-12-9(15)7-3-11-8(14)4-10-7/h3-4,6,13H,2,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyIVKJZIMQNMGNQT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.87
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 65031598) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID65031598
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CO)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-6(5-13)2-12-9(15)7-3-11-8(14)4-10-7/h3-4,6,13H,2,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyIVKJZIMQNMGNQT-UHFFFAOYSA-N
XLogP-0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-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 N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 65031598) is N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide is CC(CO)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is IVKJZIMQNMGNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(5-13)2-12-9(15)7-3-11-8(14)4-10-7/h3-4,6,13H,2,5H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 65031598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).