N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide

C23H20N4O2 — CID 22724379

IUPACN-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C23H20N4O2/c1-16(28)26(2)18-10-6-11-19(15-18)27-22-20(12-7-13-24-22)25-21(23(27)29)14-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3
InChIKeyCHLQYJXXJKMZHG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.35
Rot. Bonds4

About N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide

N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide (PubChem CID 22724379) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide
PubChem CID22724379
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C23H20N4O2/c1-16(28)26(2)18-10-6-11-19(15-18)27-22-20(12-7-13-24-22)25-21(23(27)29)14-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3
InChIKeyCHLQYJXXJKMZHG-UHFFFAOYSA-N
XLogP3.35
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide (CID 22724379) is N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1.
What is the InChIKey of N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide?
The InChIKey is CHLQYJXXJKMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(28)26(2)18-10-6-11-19(15-18)27-22-20(12-7-13-24-22)25-21(23(27)29)14-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3.
What are the key properties of N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide?
N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide has a molecular weight of 384.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 22724379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).