N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

C21H22N4O3 — CID 109283984

IUPACN-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCc3ccccc3)cn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-27-18-9-8-16(12-19(18)28-2)25-21(26)17-13-24-20(14-23-17)22-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHWULVGULWYZHDU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.40
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (PubChem CID 109283984) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
PubChem CID109283984
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCc3ccccc3)cn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-27-18-9-8-16(12-19(18)28-2)25-21(26)17-13-24-20(14-23-17)22-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHWULVGULWYZHDU-UHFFFAOYSA-N
XLogP3.40
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109284703
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (CID 109283984) is N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(NCCc3ccccc3)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The InChIKey is HWULVGULWYZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-9-8-16(12-19(18)28-2)25-21(26)17-13-24-20(14-23-17)22-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).