1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one

C16H23N3O — CID 20641785

IUPAC1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(CCc2ccc3c(n2)NCCC3)C1=O
InChIInChI=1S/C16H23N3O/c1-2-19-11-9-13(16(19)20)6-8-14-7-5-12-4-3-10-17-15(12)18-14/h5,7,13H,2-4,6,8-11H2,1H3,(H,17,18)
InChIKeyWFCJOYVFJBMGLR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds4

About 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one

1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 20641785) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one
PubChem CID20641785
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(CCc2ccc3c(n2)NCCC3)C1=O
InChIInChI=1S/C16H23N3O/c1-2-19-11-9-13(16(19)20)6-8-14-7-5-12-4-3-10-17-15(12)18-14/h5,7,13H,2-4,6,8-11H2,1H3,(H,17,18)
InChIKeyWFCJOYVFJBMGLR-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]acetate
CID 22008742
ethyl (3S)-3-[[2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 86754780
ethyl (2S)-2-[[acetyl-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]amino]methyl]but-3-ynoate
CID 18394783
N-[1-(2,3-dihydro-1-benzofuran-6-yl)-3-oxobutyl]-2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetamide
CID 20641863
ethyl (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]propanoate
CID 57008370
(3S)-3-(3-fluoro-4-phenylphenyl)-3-[[2-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]propanoic acid
CID 10007574
[[2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino] 5-(1H-indol-3-yl)pentanoate
CID 10118707
(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid
CID 135156560
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
CID 176962231

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one (CID 20641785) is 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one is CCN1CCC(CCc2ccc3c(n2)NCCC3)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is WFCJOYVFJBMGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-11-9-13(16(19)20)6-8-14-7-5-12-4-3-10-17-15(12)18-14/h5,7,13H,2-4,6,8-11H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one?
1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 20641785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).