ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate

C18H28N4O3 — CID 58869591

IUPACethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCC2CCCN2CC2CC2)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-25-16(23)12-22-13(2)9-19-17(18(22)24)20-10-15-5-4-8-21(15)11-14-6-7-14/h9,14-15H,3-8,10-12H2,1-2H3,(H,19,20)
InChIKeyRLEHDYVMGPPUKX-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.40
Rot. Bonds8

About ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate

ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate (PubChem CID 58869591) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate
PubChem CID58869591
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCC2CCCN2CC2CC2)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-25-16(23)12-22-13(2)9-19-17(18(22)24)20-10-15-5-4-8-21(15)11-14-6-7-14/h9,14-15H,3-8,10-12H2,1-2H3,(H,19,20)
InChIKeyRLEHDYVMGPPUKX-UHFFFAOYSA-N
XLogP1.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate (CID 58869591) is ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate is CCOC(=O)Cn1c(C)cnc(NCC2CCCN2CC2CC2)c1=O.
What is the InChIKey of ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate?
The InChIKey is RLEHDYVMGPPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-25-16(23)12-22-13(2)9-19-17(18(22)24)20-10-15-5-4-8-21(15)11-14-6-7-14/h9,14-15H,3-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate?
ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate has a molecular weight of 348.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 58869591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).