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

C25H25N5O3 — CID 24830706

IUPACN-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccccc4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H25N5O3/c1-17(31)26-14-15-30-24-21(12-13-22(29-24)27-16-18-6-4-3-5-7-18)28-23(25(30)32)19-8-10-20(33-2)11-9-19/h3-13H,14-16H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyRIXRJRRWRHENQZ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.22
Rot. Bonds8

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

N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24830706) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24830706
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4ccccc4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H25N5O3/c1-17(31)26-14-15-30-24-21(12-13-22(29-24)27-16-18-6-4-3-5-7-18)28-23(25(30)32)19-8-10-20(33-2)11-9-19/h3-13H,14-16H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyRIXRJRRWRHENQZ-UHFFFAOYSA-N
XLogP3.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24830706) is N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4ccccc4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is RIXRJRRWRHENQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-17(31)26-14-15-30-24-21(12-13-22(29-24)27-16-18-6-4-3-5-7-18)28-23(25(30)32)19-8-10-20(33-2)11-9-19/h3-13H,14-16H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).