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

C12H19N3O3 — CID 54994476

IUPACN-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H19N3O3/c1-3-9(4-2)15(5-6-16)12(18)10-7-14-11(17)8-13-10/h7-9,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyUBDUKVUYXRSVQL-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.39
Rot. Bonds6

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

N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide (PubChem CID 54994476) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide
PubChem CID54994476
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H19N3O3/c1-3-9(4-2)15(5-6-16)12(18)10-7-14-11(17)8-13-10/h7-9,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyUBDUKVUYXRSVQL-UHFFFAOYSA-N
XLogP0.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.39
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-pentan-3-yl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide (CID 54994476) is N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide is CCC(CC)N(CCO)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide?
The InChIKey is UBDUKVUYXRSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9(4-2)15(5-6-16)12(18)10-7-14-11(17)8-13-10/h7-9,16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide?
N-(2-hydroxyethyl)-6-oxo-N-pentan-3-yl-1H-pyrazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.39, 6 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-pentan-3-yl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 54994476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).