5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

C21H22N4O — CID 109281209

IUPAC5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)cn2)cc1C
InChIInChI=1S/C21H22N4O/c1-15-9-10-18(11-16(15)2)24-21(26)19-12-23-20(13-22-19)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyMEHHRQSPXCPKGV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds5

About 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109281209) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109281209
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)cn2)cc1C
InChIInChI=1S/C21H22N4O/c1-15-9-10-18(11-16(15)2)24-21(26)19-12-23-20(13-22-19)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyMEHHRQSPXCPKGV-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
5-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277110
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109281209) is 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)cn2)cc1C.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is MEHHRQSPXCPKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-9-10-18(11-16(15)2)24-21(26)19-12-23-20(13-22-19)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26).
What are the key properties of 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109281209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).