5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide

C21H21ClN4O — CID 109282885

IUPAC5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O/c1-3-26(14-16-7-5-4-6-8-16)20-13-23-19(12-24-20)21(27)25-17-10-9-15(2)18(22)11-17/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyKWHLAFYMXSHQDU-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.72
Rot. Bonds6

About 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide

5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109282885) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109282885
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O/c1-3-26(14-16-7-5-4-6-8-16)20-13-23-19(12-24-20)21(27)25-17-10-9-15(2)18(22)11-17/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyKWHLAFYMXSHQDU-UHFFFAOYSA-N
XLogP4.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109281209
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
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
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide (CID 109282885) is 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is KWHLAFYMXSHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-3-26(14-16-7-5-4-6-8-16)20-13-23-19(12-24-20)21(27)25-17-10-9-15(2)18(22)11-17/h4-13H,3,14H2,1-2H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.72, 6 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-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).