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

C19H23N3O4 — CID 164609242

IUPAC[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN(C)C
InChIInChI=1S/C19H23N3O4/c1-13(23)26-18(14-7-5-4-6-8-14)16-11-17(24)15(19(20)25)12-22(16)10-9-21(2)3/h4-8,11-12,18H,9-10H2,1-3H3,(H2,20,25)/t18-/m0/s1
InChIKeyNMDUFYPOVLXDPO-SFHVURJKSA-N
MW357.41 g/mol
LogP1.16
Rot. Bonds7

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

[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate (PubChem CID 164609242) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate
PubChem CID164609242
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN(C)C
InChIInChI=1S/C19H23N3O4/c1-13(23)26-18(14-7-5-4-6-8-14)16-11-17(24)15(19(20)25)12-22(16)10-9-21(2)3/h4-8,11-12,18H,9-10H2,1-3H3,(H2,20,25)/t18-/m0/s1
InChIKeyNMDUFYPOVLXDPO-SFHVURJKSA-N
XLogP1.16
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.16
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-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate (CID 164609242) is [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate is CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN(C)C.
What is the InChIKey of [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
The InChIKey is NMDUFYPOVLXDPO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(23)26-18(14-7-5-4-6-8-14)16-11-17(24)15(19(20)25)12-22(16)10-9-21(2)3/h4-8,11-12,18H,9-10H2,1-3H3,(H2,20,25)/t18-/m0/s1.
What are the key properties of [(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate?
[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate has a molecular weight of 357.41 g/mol, XLogP of 1.16, 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-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate is sourced from PubChem (CID 164609242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).