[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate

C20H24N2O5 — CID 164623634

IUPAC[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate
SMILESCC(C)CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(25)27-19(14-6-4-3-5-7-14)16-11-17(24)15(20(21)26)12-22(16)8-9-23/h3-7,11-13,19,23H,8-10H2,1-2H3,(H2,21,26)/t19-/m0/s1
InChIKeyBWCIHKBZYRRZOA-IBGZPJMESA-N
MW372.42 g/mol
LogP1.62
Rot. Bonds8

About [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate

[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate (PubChem CID 164623634) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate.

Molecular Properties

Compound Name[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate
PubChem CID164623634
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate
SMILESCC(C)CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(25)27-19(14-6-4-3-5-7-14)16-11-17(24)15(20(21)26)12-22(16)8-9-23/h3-7,11-13,19,23H,8-10H2,1-2H3,(H2,21,26)/t19-/m0/s1
InChIKeyBWCIHKBZYRRZOA-IBGZPJMESA-N
XLogP1.62
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.62
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] 3-methylbutanoate?
The IUPAC name of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate (CID 164623634) is [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate.
What is the SMILES notation for [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate?
The canonical SMILES for [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate is CC(C)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] 3-methylbutanoate?
The InChIKey is BWCIHKBZYRRZOA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)10-18(25)27-19(14-6-4-3-5-7-14)16-11-17(24)15(20(21)26)12-22(16)8-9-23/h3-7,11-13,19,23H,8-10H2,1-2H3,(H2,21,26)/t19-/m0/s1.
What are the key properties of [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate?
[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate has a molecular weight of 372.42 g/mol, XLogP of 1.62, 8 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] 3-methylbutanoate is sourced from PubChem (CID 164623634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).