N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide

C10H15N3O3 — CID 61066865

IUPACN-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-2-3-13(4-5-14)10(16)8-6-12-9(15)7-11-8/h6-7,14H,2-5H2,1H3,(H,12,15)
InChIKeyXKIWVCMSWQLRQW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.39
Rot. Bonds5

About N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide

N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide (PubChem CID 61066865) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide
PubChem CID61066865
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O3/c1-2-3-13(4-5-14)10(16)8-6-12-9(15)7-11-8/h6-7,14H,2-5H2,1H3,(H,12,15)
InChIKeyXKIWVCMSWQLRQW-UHFFFAOYSA-N
XLogP-0.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide (CID 61066865) is N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide is CCCN(CCO)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide?
The InChIKey is XKIWVCMSWQLRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-13(4-5-14)10(16)8-6-12-9(15)7-11-8/h6-7,14H,2-5H2,1H3,(H,12,15).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide?
N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 61066865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).