ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate

C15H23N3O2 — CID 75393904

IUPACethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate
SMILESCCOC(=O)CCCCN1CCN(C)c2ncccc21
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)8-4-5-10-18-12-11-17(2)15-13(18)7-6-9-16-15/h6-7,9H,3-5,8,10-12H2,1-2H3
InChIKeyKGQZPFZNZMCBHW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.07
Rot. Bonds6

About ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate

ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate (PubChem CID 75393904) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate
PubChem CID75393904
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate
SMILESCCOC(=O)CCCCN1CCN(C)c2ncccc21
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)8-4-5-10-18-12-11-17(2)15-13(18)7-6-9-16-15/h6-7,9H,3-5,8,10-12H2,1-2H3
InChIKeyKGQZPFZNZMCBHW-UHFFFAOYSA-N
XLogP2.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate?
The IUPAC name of ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate (CID 75393904) is ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate?
The canonical SMILES for ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate is CCOC(=O)CCCCN1CCN(C)c2ncccc21.
What is the InChIKey of ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate?
The InChIKey is KGQZPFZNZMCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14(19)8-4-5-10-18-12-11-17(2)15-13(18)7-6-9-16-15/h6-7,9H,3-5,8,10-12H2,1-2H3.
What are the key properties of ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate?
ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate has a molecular weight of 277.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)pentanoate is sourced from PubChem (CID 75393904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).