[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate

C18H20N2O5 — CID 164617612

IUPAC[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCOCCn1cc(C(N)=O)c(=O)cc1[C@@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(21)25-17(13-6-4-3-5-7-13)15-10-16(22)14(18(19)23)11-20(15)8-9-24-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyUAFQQBKWCWWGFK-KRWDZBQOSA-N
MW344.37 g/mol
LogP1.25
Rot. Bonds7

About [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate

[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate (PubChem CID 164617612) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
PubChem CID164617612
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCOCCn1cc(C(N)=O)c(=O)cc1[C@@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(21)25-17(13-6-4-3-5-7-13)15-10-16(22)14(18(19)23)11-20(15)8-9-24-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyUAFQQBKWCWWGFK-KRWDZBQOSA-N
XLogP1.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate (CID 164617612) is [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate is COCCn1cc(C(N)=O)c(=O)cc1[C@@H](OC(C)=O)c1ccccc1.
What is the InChIKey of [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The InChIKey is UAFQQBKWCWWGFK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(21)25-17(13-6-4-3-5-7-13)15-10-16(22)14(18(19)23)11-20(15)8-9-24-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,19,23)/t17-/m0/s1.
What are the key properties of [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate has a molecular weight of 344.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate is sourced from PubChem (CID 164617612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).