N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide

C9H13N3O3 — CID 43500413

IUPACN-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-2-6(5-13)12-9(15)7-3-11-8(14)4-10-7/h3-4,6,13H,2,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyYBLYZTLWBFAVTG-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.73
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide

N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43500413) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43500413
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H13N3O3/c1-2-6(5-13)12-9(15)7-3-11-8(14)4-10-7/h3-4,6,13H,2,5H2,1H3,(H,11,14)(H,12,15)
InChIKeyYBLYZTLWBFAVTG-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
5-(2-methylpropanoyl)-1H-pyrazin-2-one
CID 118220483
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 66109460
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 107820744
6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
CID 60770819
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-amino-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 124514500
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide (CID 43500413) is N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is CCC(CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is YBLYZTLWBFAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-6(5-13)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-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43500413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).