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

C19H18N4O3 — CID 174662219

IUPAC5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3cccc(N)c3)cn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-17-7-6-14(9-18(17)26-2)23-19(24)16-11-21-15(10-22-16)12-4-3-5-13(20)8-12/h3-11H,20H2,1-2H3,(H,23,24)
InChIKeyOBHHWYZBKRBKRB-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.00
Rot. Bonds5

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

5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 174662219) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID174662219
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3cccc(N)c3)cn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-17-7-6-14(9-18(17)26-2)23-19(24)16-11-21-15(10-22-16)12-4-3-5-13(20)8-12/h3-11H,20H2,1-2H3,(H,23,24)
InChIKeyOBHHWYZBKRBKRB-UHFFFAOYSA-N
XLogP3.00
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198607
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (CID 174662219) is 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(-c3cccc(N)c3)cn2)cc1OC.
What is the InChIKey of 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is OBHHWYZBKRBKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-17-7-6-14(9-18(17)26-2)23-19(24)16-11-21-15(10-22-16)12-4-3-5-13(20)8-12/h3-11H,20H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 174662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).