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

C21H19N5O2 — CID 109284773

IUPAC5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(11-18)8-9-23-21(27)19-13-25-20(14-24-19)26-17-6-2-5-16(10-17)12-22/h2-7,10-11,13-14H,8-9H2,1H3,(H,23,27)(H,25,26)
InChIKeySHWUKUTWARSSPQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.07
Rot. Bonds7

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

5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284773) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284773
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(11-18)8-9-23-21(27)19-13-25-20(14-24-19)26-17-6-2-5-16(10-17)12-22/h2-7,10-11,13-14H,8-9H2,1H3,(H,23,27)(H,25,26)
InChIKeySHWUKUTWARSSPQ-UHFFFAOYSA-N
XLogP3.07
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284768
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
6-(4-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372162
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001133

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284773) is 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)c1.
What is the InChIKey of 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SHWUKUTWARSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(11-18)8-9-23-21(27)19-13-25-20(14-24-19)26-17-6-2-5-16(10-17)12-22/h2-7,10-11,13-14H,8-9H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).