N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide

C11H17N3O3 — CID 62519179

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-3-11(4-2,7-15)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyYVAOESRTSQGITQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.05
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 62519179) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID62519179
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-3-11(4-2,7-15)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyYVAOESRTSQGITQ-UHFFFAOYSA-N
XLogP0.05
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(hydroxymethyl)pentan-3-yl]-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-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide (CID 62519179) is N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide is CCC(CC)(CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is YVAOESRTSQGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-11(4-2,7-15)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 62519179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).