ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

C18H21N5O2 — CID 5270486

IUPACethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)C(C)N2
InChIInChI=1S/C18H21N5O2/c1-3-25-18(24)23-15-10-14-16(17(19)22-15)21-13(11(2)20-14)9-12-7-5-4-6-8-12/h4-8,10-11,20H,3,9H2,1-2H3,(H3,19,22,23,24)
InChIKeyIXSXLVDJUWEYND-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.36
Rot. Bonds4

About ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (PubChem CID 5270486) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
PubChem CID5270486
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Nameethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)C(C)N2
InChIInChI=1S/C18H21N5O2/c1-3-25-18(24)23-15-10-14-16(17(19)22-15)21-13(11(2)20-14)9-12-7-5-4-6-8-12/h4-8,10-11,20H,3,9H2,1-2H3,(H3,19,22,23,24)
InChIKeyIXSXLVDJUWEYND-UHFFFAOYSA-N
XLogP3.36
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (CID 5270486) is ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is CCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)C(C)N2.
What is the InChIKey of ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The InChIKey is IXSXLVDJUWEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-25-18(24)23-15-10-14-16(17(19)22-15)21-13(11(2)20-14)9-12-7-5-4-6-8-12/h4-8,10-11,20H,3,9H2,1-2H3,(H3,19,22,23,24).
What are the key properties of ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate has a molecular weight of 339.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-3-benzyl-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is sourced from PubChem (CID 5270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).