N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

C21H22N4O — CID 109280416

IUPACN-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3cccc(C)c3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-23-20-13-22-19(12-24-20)21(26)25-18-9-5-7-15(2)16(18)3/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyFMGGIWMWNUSEMH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280416) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280416
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3cccc(C)c3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-23-20-13-22-19(12-24-20)21(26)25-18-9-5-7-15(2)16(18)3/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyFMGGIWMWNUSEMH-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-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255999
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280416) is N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1cccc(CNc2cnc(C(=O)Nc3cccc(C)c3C)cn2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is FMGGIWMWNUSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-23-20-13-22-19(12-24-20)21(26)25-18-9-5-7-15(2)16(18)3/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(2,3-dimethylphenyl)-5-[(3-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-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).