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

C21H21ClN4O — CID 109281796

IUPAC5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20-14-23-19(13-24-20)21(27)25-12-17-10-6-7-11-18(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,25,27)
InChIKeyXATDDBQXNSMZIM-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.09
Rot. Bonds7

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

5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281796) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281796
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20-14-23-19(13-24-20)21(27)25-12-17-10-6-7-11-18(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,25,27)
InChIKeyXATDDBQXNSMZIM-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109282839
N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109282583
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 109281796) is 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XATDDBQXNSMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20-14-23-19(13-24-20)21(27)25-12-17-10-6-7-11-18(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.09, 7 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-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).