5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide

C21H22N4O — CID 109290834

IUPAC5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(Nc2cnc(C(=O)Nc3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(4)18(10-13)25-21(26)19-11-23-20(12-22-19)24-17-8-14(2)7-15(3)9-17/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyMEDOTGWCMJCKRR-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds4

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

5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109290834) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109290834
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(Nc2cnc(C(=O)Nc3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(4)18(10-13)25-21(26)19-11-23-20(12-22-19)24-17-8-14(2)7-15(3)9-17/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyMEDOTGWCMJCKRR-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (CID 109290834) is 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide is Cc1cc(C)cc(Nc2cnc(C(=O)Nc3cc(C)ccc3C)cn2)c1.
What is the InChIKey of 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is MEDOTGWCMJCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-5-6-16(4)18(10-13)25-21(26)19-11-23-20(12-22-19)24-17-8-14(2)7-15(3)9-17/h5-12H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).