N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide

C21H22N4O — CID 109279650

IUPACN-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-18-11-7-4-8-12-18)20-15-22-19(14-23-20)21(26)24-13-17-9-5-3-6-10-17/h3-12,14-15H,2,13,16H2,1H3,(H,24,26)
InChIKeyKZSJYSKYMSUHBJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds7

About N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide

N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide (PubChem CID 109279650) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
PubChem CID109279650
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-18-11-7-4-8-12-18)20-15-22-19(14-23-20)21(26)24-13-17-9-5-3-6-10-17/h3-12,14-15H,2,13,16H2,1H3,(H,24,26)
InChIKeyKZSJYSKYMSUHBJ-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109282583
5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109282839
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide (CID 109279650) is N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The InChIKey is KZSJYSKYMSUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-25(16-18-11-7-4-8-12-18)20-15-22-19(14-23-20)21(26)24-13-17-9-5-3-6-10-17/h3-12,14-15H,2,13,16H2,1H3,(H,24,26).
What are the key properties of N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109279650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).