5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide

C21H22N4O2 — CID 109282890

IUPAC5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-25(15-16-8-5-4-6-9-16)20-14-22-19(13-23-20)21(26)24-17-10-7-11-18(12-17)27-2/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyHSQUCJOZWCDFEZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.76
Rot. Bonds7

About 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide

5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109282890) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109282890
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-25(15-16-8-5-4-6-9-16)20-14-22-19(13-23-20)21(26)24-17-10-7-11-18(12-17)27-2/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyHSQUCJOZWCDFEZ-UHFFFAOYSA-N
XLogP3.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide (CID 109282890) is 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)Nc2cccc(OC)c2)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is HSQUCJOZWCDFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(15-16-8-5-4-6-9-16)20-14-22-19(13-23-20)21(26)24-17-10-7-11-18(12-17)27-2/h4-14H,3,15H2,1-2H3,(H,24,26).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).