(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one

C17H19N3O2 — CID 59951655

IUPAC(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CN1CC[C@H](CCc2ccc3cccnc3n2)C1=O
InChIInChI=1S/C17H19N3O2/c1-12(21)11-20-10-8-14(17(20)22)5-7-15-6-4-13-3-2-9-18-16(13)19-15/h2-4,6,9,14H,5,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyDLMGKUVLZZNYJG-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.00
Rot. Bonds5

About (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one

(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 59951655) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one
PubChem CID59951655
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CN1CC[C@H](CCc2ccc3cccnc3n2)C1=O
InChIInChI=1S/C17H19N3O2/c1-12(21)11-20-10-8-14(17(20)22)5-7-15-6-4-13-3-2-9-18-16(13)19-15/h2-4,6,9,14H,5,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyDLMGKUVLZZNYJG-AWEZNQCLSA-N
XLogP2.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one (CID 59951655) is (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CN1CC[C@H](CCc2ccc3cccnc3n2)C1=O.
What is the InChIKey of (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is DLMGKUVLZZNYJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(21)11-20-10-8-14(17(20)22)5-7-15-6-4-13-3-2-9-18-16(13)19-15/h2-4,6,9,14H,5,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one?
(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 59951655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).