5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide

C18H16N4O — CID 109289423

IUPAC5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-12-19-16(11-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWAWIIVYSXLBRHG-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide

5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109289423) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
PubChem CID109289423
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-12-19-16(11-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWAWIIVYSXLBRHG-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide (CID 109289423) is 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)Nc3ccccc3)cn2)cc1.
What is the InChIKey of 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is WAWIIVYSXLBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-9-15(10-8-13)21-17-12-19-16(11-20-17)18(23)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide?
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109289423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).