N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

C25H24ClN5O3 — CID 24830859

IUPACN-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccccc4Cl)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H24ClN5O3/c1-16(32)27-13-14-31-24-21(29-23(25(31)33)17-7-9-19(34-2)10-8-17)11-12-22(30-24)28-15-18-5-3-4-6-20(18)26/h3-12H,13-15H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyASLHSGGOAIAIQM-UHFFFAOYSA-N
MW477.95 g/mol
LogP3.87
Rot. Bonds8

About N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24830859) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24830859
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC NameN-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccccc4Cl)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H24ClN5O3/c1-16(32)27-13-14-31-24-21(29-23(25(31)33)17-7-9-19(34-2)10-8-17)11-12-22(30-24)28-15-18-5-3-4-6-20(18)26/h3-12H,13-15H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyASLHSGGOAIAIQM-UHFFFAOYSA-N
XLogP3.87
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24830859) is N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4ccccc4Cl)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is ASLHSGGOAIAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-16(32)27-13-14-31-24-21(29-23(25(31)33)17-7-9-19(34-2)10-8-17)11-12-22(30-24)28-15-18-5-3-4-6-20(18)26/h3-12H,13-15H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 477.95 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24830859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).