5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

C19H18N4O — CID 109289825

IUPAC5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C19H18N4O/c1-13-6-8-15(9-7-13)22-18-12-20-17(11-21-18)19(24)23-16-5-3-4-14(2)10-16/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNNXCKLSMCMDROF-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289825) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289825
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C19H18N4O/c1-13-6-8-15(9-7-13)22-18-12-20-17(11-21-18)19(24)23-16-5-3-4-14(2)10-16/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNNXCKLSMCMDROF-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

N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109289825) is 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)Nc3cccc(C)c3)cn2)cc1.
What is the InChIKey of 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is NNXCKLSMCMDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-6-8-15(9-7-13)22-18-12-20-17(11-21-18)19(24)23-16-5-3-4-14(2)10-16/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-(4-methylanilino)-N-(3-methylphenyl)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-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).