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

C22H24N4O2 — CID 109284737

IUPAC5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-8-16(2)19(11-15)26-21-14-24-20(13-25-21)22(27)23-10-9-17-5-4-6-18(12-17)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyQXWQNRGQRHNPHC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

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

5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284737) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284737
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-8-16(2)19(11-15)26-21-14-24-20(13-25-21)22(27)23-10-9-17-5-4-6-18(12-17)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyQXWQNRGQRHNPHC-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284768
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284737) is 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3cc(C)ccc3C)cn2)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is QXWQNRGQRHNPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-8-16(2)19(11-15)26-21-14-24-20(13-25-21)22(27)23-10-9-17-5-4-6-18(12-17)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).