N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

C21H22N4O — CID 109280144

IUPACN-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(NCc3ccccc3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-16(3)18(10-14)25-21(26)19-12-24-20(13-22-19)23-11-17-7-5-4-6-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyWYVMSNMFDOZWJB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280144) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280144
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(NCc3ccccc3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-16(3)18(10-14)25-21(26)19-12-24-20(13-22-19)23-11-17-7-5-4-6-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyWYVMSNMFDOZWJB-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280199
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280201
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280144) is N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cnc(NCc3ccccc3C)cn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is WYVMSNMFDOZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-9-16(3)18(10-14)25-21(26)19-12-24-20(13-22-19)23-11-17-7-5-4-6-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).