5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide

C18H16N4O — CID 109289526

IUPAC5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C18H16N4O/c1-13-7-5-6-10-15(13)22-18(23)16-11-20-17(12-19-16)21-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWYVRUUDKWCGEOL-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide

5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289526) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289526
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C18H16N4O/c1-13-7-5-6-10-15(13)22-18(23)16-11-20-17(12-19-16)21-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWYVRUUDKWCGEOL-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-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289526) is 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2)cn1.
What is the InChIKey of 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is WYVRUUDKWCGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-5-6-10-15(13)22-18(23)16-11-20-17(12-19-16)21-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-anilino-N-(2-methylphenyl)pyrazine-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-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).