5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

C20H20N4O — CID 109290211

IUPAC5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1cccc(C)c1Nc1cnc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-15(2)19(14)23-18-13-21-17(12-22-18)20(25)24(3)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,23)
InChIKeyCEBVNHPSSSITKQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.11
Rot. Bonds4

About 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109290211) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID109290211
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1cccc(C)c1Nc1cnc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-15(2)19(14)23-18-13-21-17(12-22-18)20(25)24(3)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,23)
InChIKeyCEBVNHPSSSITKQ-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-benzyl-N-ethyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109282777

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109290211) is 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is Cc1cccc(C)c1Nc1cnc(C(=O)N(C)c2ccccc2)cn1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is CEBVNHPSSSITKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-7-9-15(2)19(14)23-18-13-21-17(12-22-18)20(25)24(3)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,23).
What are the key properties of 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109290211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).