N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide

C20H20N4O4 — CID 23108257

IUPACN-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(C)=O)C1=C(NCc2cnccn2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)24(9-10-28-2)18-17(23-12-14-11-21-7-8-22-14)19(26)15-5-3-4-6-16(15)20(18)27/h3-8,11,23H,9-10,12H2,1-2H3
InChIKeyNDZVBQAPSJJMNR-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.35
Rot. Bonds7

About N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide

N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 23108257) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID23108257
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(C)=O)C1=C(NCc2cnccn2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)24(9-10-28-2)18-17(23-12-14-11-21-7-8-22-14)19(26)15-5-3-4-6-16(15)20(18)27/h3-8,11,23H,9-10,12H2,1-2H3
InChIKeyNDZVBQAPSJJMNR-UHFFFAOYSA-N
XLogP1.35
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide (CID 23108257) is N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide is COCCN(C(C)=O)C1=C(NCc2cnccn2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is NDZVBQAPSJJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(25)24(9-10-28-2)18-17(23-12-14-11-21-7-8-22-14)19(26)15-5-3-4-6-16(15)20(18)27/h3-8,11,23H,9-10,12H2,1-2H3.
What are the key properties of N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide?
N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 23108257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).