5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

C19H18N4O — CID 109289534

IUPAC5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3)cn2)cc1C
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(10-14(13)2)23-19(24)17-11-21-18(12-20-17)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyANROAHOBKRMTGJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109289534) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109289534
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3)cn2)cc1C
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(10-14(13)2)23-19(24)17-11-21-18(12-20-17)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyANROAHOBKRMTGJ-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291003
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109289534) is 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3)cn2)cc1C.
What is the InChIKey of 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is ANROAHOBKRMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-8-9-16(10-14(13)2)23-19(24)17-11-21-18(12-20-17)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).