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

C15H23N5O2 — CID 91261655

IUPACethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCCCC1Nc2c(cc(NC(=O)OCC)nc2N)N=C1C
InChIInChI=1S/C15H23N5O2/c1-4-6-7-10-9(3)17-11-8-12(20-15(21)22-5-2)19-14(16)13(11)18-10/h8,10,18H,4-7H2,1-3H3,(H3,16,19,20,21)
InChIKeyAVYOPQPFAKDAMX-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.31
Rot. Bonds5

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

ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (PubChem CID 91261655) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
PubChem CID91261655
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Nameethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCCCC1Nc2c(cc(NC(=O)OCC)nc2N)N=C1C
InChIInChI=1S/C15H23N5O2/c1-4-6-7-10-9(3)17-11-8-12(20-15(21)22-5-2)19-14(16)13(11)18-10/h8,10,18H,4-7H2,1-3H3,(H3,16,19,20,21)
InChIKeyAVYOPQPFAKDAMX-UHFFFAOYSA-N
XLogP3.31
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.31
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-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (CID 91261655) is ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is CCCCC1Nc2c(cc(NC(=O)OCC)nc2N)N=C1C.
What is the InChIKey of ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The InChIKey is AVYOPQPFAKDAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-6-7-10-9(3)17-11-8-12(20-15(21)22-5-2)19-14(16)13(11)18-10/h8,10,18H,4-7H2,1-3H3,(H3,16,19,20,21).
What are the key properties of ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate has a molecular weight of 305.38 g/mol, XLogP of 3.31, 5 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-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is sourced from PubChem (CID 91261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).