1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate

C12H16N2O5 — CID 146595236

IUPAC1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate
SMILESCCOc1ccnc(C(N)=O)c1OC(C)OC(C)=O
InChIInChI=1S/C12H16N2O5/c1-4-17-9-5-6-14-10(12(13)16)11(9)19-8(3)18-7(2)15/h5-6,8H,4H2,1-3H3,(H2,13,16)
InChIKeyHMBOKPLVTHKTDK-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.87
Rot. Bonds6

About 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate

1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate (PubChem CID 146595236) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate.

Molecular Properties

Compound Name1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate
PubChem CID146595236
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate
SMILESCCOc1ccnc(C(N)=O)c1OC(C)OC(C)=O
InChIInChI=1S/C12H16N2O5/c1-4-17-9-5-6-14-10(12(13)16)11(9)19-8(3)18-7(2)15/h5-6,8H,4H2,1-3H3,(H2,13,16)
InChIKeyHMBOKPLVTHKTDK-UHFFFAOYSA-N
XLogP0.87
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate?
The IUPAC name of 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate (CID 146595236) is 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate.
What is the SMILES notation for 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate?
The canonical SMILES for 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate is CCOc1ccnc(C(N)=O)c1OC(C)OC(C)=O.
What is the InChIKey of 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate?
The InChIKey is HMBOKPLVTHKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-17-9-5-6-14-10(12(13)16)11(9)19-8(3)18-7(2)15/h5-6,8H,4H2,1-3H3,(H2,13,16).
What are the key properties of 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate?
1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate has a molecular weight of 268.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate is sourced from PubChem (CID 146595236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).