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

C17H18N2O5 — CID 132525201

IUPAC[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO
InChIInChI=1S/C17H18N2O5/c1-11(21)24-16(12-5-3-2-4-6-12)14-9-15(22)13(17(18)23)10-19(14)7-8-20/h2-6,9-10,16,20H,7-8H2,1H3,(H2,18,23)/t16-/m0/s1
InChIKeyAKHVMRKKBSRGDN-INIZCTEOSA-N
MW330.34 g/mol
LogP0.59
Rot. Bonds6

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

[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate (PubChem CID 132525201) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
PubChem CID132525201
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO
InChIInChI=1S/C17H18N2O5/c1-11(21)24-16(12-5-3-2-4-6-12)14-9-15(22)13(17(18)23)10-19(14)7-8-20/h2-6,9-10,16,20H,7-8H2,1H3,(H2,18,23)/t16-/m0/s1
InChIKeyAKHVMRKKBSRGDN-INIZCTEOSA-N
XLogP0.59
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate (CID 132525201) is [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate is CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO.
What is the InChIKey of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The InChIKey is AKHVMRKKBSRGDN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(21)24-16(12-5-3-2-4-6-12)14-9-15(22)13(17(18)23)10-19(14)7-8-20/h2-6,9-10,16,20H,7-8H2,1H3,(H2,18,23)/t16-/m0/s1.
What are the key properties of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate has a molecular weight of 330.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate is sourced from PubChem (CID 132525201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).