N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide

C21H22N4O — CID 109281082

IUPACN-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-16-9-11-18(12-10-16)24-20-14-22-19(13-23-20)21(26)25(2)15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,23,24)
InChIKeyHOIQZUKKPLSUGH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.05
Rot. Bonds6

About N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide

N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109281082) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109281082
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-16-9-11-18(12-10-16)24-20-14-22-19(13-23-20)21(26)25(2)15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,23,24)
InChIKeyHOIQZUKKPLSUGH-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.05
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-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide (CID 109281082) is N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide is CCc1ccc(Nc2cnc(C(=O)N(C)Cc3ccccc3)cn2)cc1.
What is the InChIKey of N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is HOIQZUKKPLSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-16-9-11-18(12-10-16)24-20-14-22-19(13-23-20)21(26)25(2)15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide?
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109281082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).