N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

C20H20N4O3 — CID 11574129

IUPACN-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(7-15)19-11-21-12-20(24-19)23-16-8-17(26-2)10-18(9-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyMTTHTAYIMMMAOW-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.86
Rot. Bonds6

About N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11574129) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11574129
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(7-15)19-11-21-12-20(24-19)23-16-8-17(26-2)10-18(9-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyMTTHTAYIMMMAOW-UHFFFAOYSA-N
XLogP3.86
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (CID 11574129) is N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1.
What is the InChIKey of N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is MTTHTAYIMMMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(7-15)19-11-21-12-20(24-19)23-16-8-17(26-2)10-18(9-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,5-dimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11574129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).