ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate

C25H35N3O3 — CID 22278778

IUPACethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2OC)CCCC3)nc1CC
InChIInChI=1S/C25H35N3O3/c1-6-20-24(19-14-17-11-9-10-12-18(17)15-22(19)30-5)27-21(7-2)25(28-20)26-16(4)13-23(29)31-8-3/h14-16H,6-13H2,1-5H3,(H,26,28)
InChIKeyJIZKWCCYSTVNGS-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.91
Rot. Bonds9

About ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate

ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate (PubChem CID 22278778) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
PubChem CID22278778
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Nameethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2OC)CCCC3)nc1CC
InChIInChI=1S/C25H35N3O3/c1-6-20-24(19-14-17-11-9-10-12-18(17)15-22(19)30-5)27-21(7-2)25(28-20)26-16(4)13-23(29)31-8-3/h14-16H,6-13H2,1-5H3,(H,26,28)
InChIKeyJIZKWCCYSTVNGS-UHFFFAOYSA-N
XLogP4.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate with MolForge

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Related Compounds

ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
CID 142823131
3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol
CID 22278698
3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pentan-2-ylpyrazin-2-amine
CID 22278704
2-[[5-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]ethanethioamide
CID 22278763
3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 142823119
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
CID 22278748
ethyl 3-(4-bromo-3-methoxyanilino)butanoate
CID 82867925
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The IUPAC name of ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate (CID 22278778) is ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The canonical SMILES for ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate is CCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2OC)CCCC3)nc1CC.
What is the InChIKey of ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The InChIKey is JIZKWCCYSTVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-20-24(19-14-17-11-9-10-12-18(17)15-22(19)30-5)27-21(7-2)25(28-20)26-16(4)13-23(29)31-8-3/h14-16H,6-13H2,1-5H3,(H,26,28).
What are the key properties of ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate has a molecular weight of 425.57 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate is sourced from PubChem (CID 22278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).