5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

C22H23ClN4O — CID 109282839

IUPAC5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H23ClN4O/c1-2-27(16-18-6-4-3-5-7-18)21-15-25-20(14-26-21)22(28)24-13-12-17-8-10-19(23)11-9-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,24,28)
InChIKeyQQXOTCGDSOBKNX-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.13
Rot. Bonds8

About 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109282839) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109282839
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H23ClN4O/c1-2-27(16-18-6-4-3-5-7-18)21-15-25-20(14-26-21)22(28)24-13-12-17-8-10-19(23)11-9-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,24,28)
InChIKeyQQXOTCGDSOBKNX-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
N-[2-(4-chlorophenyl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285784
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
6-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109157535
N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109282583
6-[benzyl(ethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109157538
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (CID 109282839) is 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is QQXOTCGDSOBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-2-27(16-18-6-4-3-5-7-18)21-15-25-20(14-26-21)22(28)24-13-12-17-8-10-19(23)11-9-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,24,28).
What are the key properties of 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).