N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

C14H15N3O3 — CID 3238728

IUPACN-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccnc2CO)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-14(19)13-12(9-18)15-7-8-16-13/h3-8,18H,2,9H2,1H3,(H,17,19)
InChIKeyUIBKVMFOBMDYNQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.62
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (PubChem CID 3238728) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
PubChem CID3238728
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccnc2CO)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-14(19)13-12(9-18)15-7-8-16-13/h3-8,18H,2,9H2,1H3,(H,17,19)
InChIKeyUIBKVMFOBMDYNQ-UHFFFAOYSA-N
XLogP1.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (CID 3238728) is N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is CCOc1ccc(NC(=O)c2nccnc2CO)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The InChIKey is UIBKVMFOBMDYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-14(19)13-12(9-18)15-7-8-16-13/h3-8,18H,2,9H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3238728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).