N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide

C21H22N4O — CID 109281079

IUPACN-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
SMILESCc1cccc(C)c1Nc1cnc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-8-7-9-16(2)20(15)24-19-13-22-18(12-23-19)21(26)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyFTGYEZYJFWRROG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide

N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109281079) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109281079
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
SMILESCc1cccc(C)c1Nc1cnc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-15-8-7-9-16(2)20(15)24-19-13-22-18(12-23-19)21(26)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyFTGYEZYJFWRROG-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-N-ethyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109282777
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide (CID 109281079) is N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide is Cc1cccc(C)c1Nc1cnc(C(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is FTGYEZYJFWRROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-7-9-16(2)20(15)24-19-13-22-18(12-23-19)21(26)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,23,24).
What are the key properties of N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide?
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109281079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).