1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

C16H23N3O2 — CID 166696843

IUPAC1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCc1ccc2c(n1)CCN(C(=O)CN1CC[C@@H](O)C1)C2
InChIInChI=1S/C16H23N3O2/c1-2-13-4-3-12-9-19(8-6-15(12)17-13)16(21)11-18-7-5-14(20)10-18/h3-4,14,20H,2,5-11H2,1H3/t14-/m1/s1
InChIKeyASDIBTUMPNLINK-CQSZACIVSA-N
MW289.38 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 166696843) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID166696843
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCc1ccc2c(n1)CCN(C(=O)CN1CC[C@@H](O)C1)C2
InChIInChI=1S/C16H23N3O2/c1-2-13-4-3-12-9-19(8-6-15(12)17-13)16(21)11-18-7-5-14(20)10-18/h3-4,14,20H,2,5-11H2,1H3/t14-/m1/s1
InChIKeyASDIBTUMPNLINK-CQSZACIVSA-N
XLogP0.60
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 155471367
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100139
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81491436

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (CID 166696843) is 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is CCc1ccc2c(n1)CCN(C(=O)CN1CC[C@@H](O)C1)C2.
What is the InChIKey of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is ASDIBTUMPNLINK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-13-4-3-12-9-19(8-6-15(12)17-13)16(21)11-18-7-5-14(20)10-18/h3-4,14,20H,2,5-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166696843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).