ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate

C15H23N3O5 — CID 67471520

IUPACethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate
SMILESCCCCOc1c(C(=O)NCCC(=O)OCC)n(N)ccc1=O
InChIInChI=1S/C15H23N3O5/c1-3-5-10-23-14-11(19)7-9-18(16)13(14)15(21)17-8-6-12(20)22-4-2/h7,9H,3-6,8,10,16H2,1-2H3,(H,17,21)
InChIKeyRJIHHNJUOULDDI-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.42
Rot. Bonds9

About ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate

ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate (PubChem CID 67471520) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate
PubChem CID67471520
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nameethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate
SMILESCCCCOc1c(C(=O)NCCC(=O)OCC)n(N)ccc1=O
InChIInChI=1S/C15H23N3O5/c1-3-5-10-23-14-11(19)7-9-18(16)13(14)15(21)17-8-6-12(20)22-4-2/h7,9H,3-6,8,10,16H2,1-2H3,(H,17,21)
InChIKeyRJIHHNJUOULDDI-UHFFFAOYSA-N
XLogP0.42
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate (CID 67471520) is ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate is CCCCOc1c(C(=O)NCCC(=O)OCC)n(N)ccc1=O.
What is the InChIKey of ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate?
The InChIKey is RJIHHNJUOULDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-3-5-10-23-14-11(19)7-9-18(16)13(14)15(21)17-8-6-12(20)22-4-2/h7,9H,3-6,8,10,16H2,1-2H3,(H,17,21).
What are the key properties of ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate?
ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate has a molecular weight of 325.37 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 67471520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).