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

C19H18N4O — CID 109289632

IUPAC5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c1
InChIInChI=1S/C19H18N4O/c1-13-6-5-8-15(10-13)22-18-12-20-17(11-21-18)19(24)23-16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyMITBZPDRAQJORM-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

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

5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289632) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289632
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c1
InChIInChI=1S/C19H18N4O/c1-13-6-5-8-15(10-13)22-18-12-20-17(11-21-18)19(24)23-16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyMITBZPDRAQJORM-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-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289632) is 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is MITBZPDRAQJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-6-5-8-15(10-13)22-18-12-20-17(11-21-18)19(24)23-16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(3-methylanilino)-N-(2-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-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).