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

C25H35N3O2 — CID 142823131

IUPACethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2C)CCCC3)nc1CC
InChIInChI=1S/C25H35N3O2/c1-6-21-24(20-15-19-12-10-9-11-18(19)13-16(20)4)27-22(7-2)25(28-21)26-17(5)14-23(29)30-8-3/h13,15,17H,6-12,14H2,1-5H3,(H,26,28)
InChIKeyUYISWWPISOJXHE-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.21
Rot. Bonds8

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

ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate (PubChem CID 142823131) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
PubChem CID142823131
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Nameethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2C)CCCC3)nc1CC
InChIInChI=1S/C25H35N3O2/c1-6-21-24(20-15-19-12-10-9-11-18(19)13-16(20)4)27-22(7-2)25(28-21)26-17(5)14-23(29)30-8-3/h13,15,17H,6-12,14H2,1-5H3,(H,26,28)
InChIKeyUYISWWPISOJXHE-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[3,6-diethyl-5-(3-methyl-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-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
CID 22278778
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
ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
CID 22278748
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
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
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131
ethyl 3-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butanoate
CID 56870453
ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The IUPAC name of ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate (CID 142823131) is ethyl 3-[[3,6-diethyl-5-(3-methyl-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-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The canonical SMILES for ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate is CCOC(=O)CC(C)Nc1nc(CC)c(-c2cc3c(cc2C)CCCC3)nc1CC.
What is the InChIKey of ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
The InChIKey is UYISWWPISOJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-6-21-24(20-15-19-12-10-9-11-18(19)13-16(20)4)27-22(7-2)25(28-21)26-17(5)14-23(29)30-8-3/h13,15,17H,6-12,14H2,1-5H3,(H,26,28).
What are the key properties of ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate?
ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate has a molecular weight of 409.57 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3,6-diethyl-5-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate is sourced from PubChem (CID 142823131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).