N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide

C18H22N4O3 — CID 109276597

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(N3CCOCC3)cn2)c1
InChIInChI=1S/C18H22N4O3/c1-24-15-4-2-3-14(11-15)5-6-19-18(23)16-12-21-17(13-20-16)22-7-9-25-10-8-22/h2-4,11-13H,5-10H2,1H3,(H,19,23)
InChIKeySWKLUQNNFXPVGX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.29
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide (PubChem CID 109276597) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
PubChem CID109276597
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(N3CCOCC3)cn2)c1
InChIInChI=1S/C18H22N4O3/c1-24-15-4-2-3-14(11-15)5-6-19-18(23)16-12-21-17(13-20-16)22-7-9-25-10-8-22/h2-4,11-13H,5-10H2,1H3,(H,19,23)
InChIKeySWKLUQNNFXPVGX-UHFFFAOYSA-N
XLogP1.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109284771
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688
N-(3-methylbutyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276630
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide (CID 109276597) is N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(N3CCOCC3)cn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The InChIKey is SWKLUQNNFXPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-4-2-3-14(11-15)5-6-19-18(23)16-12-21-17(13-20-16)22-7-9-25-10-8-22/h2-4,11-13H,5-10H2,1H3,(H,19,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109276597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).