N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide

C11H17N3O3 — CID 103782240

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-7(2)8(3-4-15)14-11(17)9-5-13-10(16)6-12-9/h5-8,15H,3-4H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyMTSAQKAMNWOLED-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.09
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 103782240) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID103782240
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N3O3/c1-7(2)8(3-4-15)14-11(17)9-5-13-10(16)6-12-9/h5-8,15H,3-4H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyMTSAQKAMNWOLED-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 43589498
N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
CID 54916099
N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide
CID 54994476
N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 61246223
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 62519179
N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 64556364
N-(3-hydroxy-2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 65031598
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 66109460
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 79252679
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 79252820

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide (CID 103782240) is N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide is CC(C)C(CCO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is MTSAQKAMNWOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)8(3-4-15)14-11(17)9-5-13-10(16)6-12-9/h5-8,15H,3-4H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 103782240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).