5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C21H22N4O — CID 109280014

IUPAC5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C21H22N4O/c1-14-8-6-10-18(16(14)3)25-20-13-22-19(12-23-20)21(26)24-11-17-9-5-4-7-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAGQMDWXJEFTIKV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

About 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280014) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280014
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C21H22N4O/c1-14-8-6-10-18(16(14)3)25-20-13-22-19(12-23-20)21(26)24-11-17-9-5-4-7-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAGQMDWXJEFTIKV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285896
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280014) is 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(Nc2cccc(C)c2C)cn1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is AGQMDWXJEFTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-6-10-18(16(14)3)25-20-13-22-19(12-23-20)21(26)24-11-17-9-5-4-7-15(17)2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).