N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide

C10H15N3O3 — CID 79252679

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-6(2)8(5-14)13-10(16)7-3-12-9(15)4-11-7/h3-4,6,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1
InChIKeyJTGPBIUQUGWVFM-MRVPVSSYSA-N
MW225.25 g/mol
LogP-0.48
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 79252679) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID79252679
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-6(2)8(5-14)13-10(16)7-3-12-9(15)4-11-7/h3-4,6,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1
InChIKeyJTGPBIUQUGWVFM-MRVPVSSYSA-N
XLogP-0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide (CID 79252679) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is JTGPBIUQUGWVFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)8(5-14)13-10(16)7-3-12-9(15)4-11-7/h3-4,6,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 79252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).