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

C22H20N2O4 — CID 164623671

IUPAC[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-15(25)28-21(17-10-6-3-7-11-17)19-12-20(26)18(22(23)27)14-24(19)13-16-8-4-2-5-9-16/h2-12,14,21H,13H2,1H3,(H2,23,27)/t21-/m0/s1
InChIKeyBNJUIRNFEFHFNM-NRFANRHFSA-N
MW376.41 g/mol
LogP2.65
Rot. Bonds6

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

[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate (PubChem CID 164623671) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate
PubChem CID164623671
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-15(25)28-21(17-10-6-3-7-11-17)19-12-20(26)18(22(23)27)14-24(19)13-16-8-4-2-5-9-16/h2-12,14,21H,13H2,1H3,(H2,23,27)/t21-/m0/s1
InChIKeyBNJUIRNFEFHFNM-NRFANRHFSA-N
XLogP2.65
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate?
The IUPAC name of [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate (CID 164623671) is [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate.
What is the SMILES notation for [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate?
The canonical SMILES for [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate is CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1Cc1ccccc1.
What is the InChIKey of [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate?
The InChIKey is BNJUIRNFEFHFNM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15(25)28-21(17-10-6-3-7-11-17)19-12-20(26)18(22(23)27)14-24(19)13-16-8-4-2-5-9-16/h2-12,14,21H,13H2,1H3,(H2,23,27)/t21-/m0/s1.
What are the key properties of [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate?
[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate has a molecular weight of 376.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate is sourced from PubChem (CID 164623671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).