N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide

C10H15N3O3 — CID 66109460

IUPACN-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2-3-14)4-13-10(16)8-5-12-9(15)6-11-8/h5-7,14H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyIWBSIQSIKMXXJZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.48
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 66109460) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID66109460
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2-3-14)4-13-10(16)8-5-12-9(15)6-11-8/h5-7,14H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyIWBSIQSIKMXXJZ-UHFFFAOYSA-N
XLogP-0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 66109460) is N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide is CC(CCO)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is IWBSIQSIKMXXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2-3-14)4-13-10(16)8-5-12-9(15)6-11-8/h5-7,14H,2-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 66109460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).