cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C21H23N3O2 — CID 97463841

IUPACcyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C21H23N3O2/c25-21(17-3-1-2-4-17)24-10-7-20-18(13-24)11-23-12-19(20)15-26-14-16-5-8-22-9-6-16/h1-2,5-6,8-9,11-12,17H,3-4,7,10,13-15H2
InChIKeyAKSOPYIIMOZJDB-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.04
Rot. Bonds5

About cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 97463841) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID97463841
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Namecyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C21H23N3O2/c25-21(17-3-1-2-4-17)24-10-7-20-18(13-24)11-23-12-19(20)15-26-14-16-5-8-22-9-6-16/h1-2,5-6,8-9,11-12,17H,3-4,7,10,13-15H2
InChIKeyAKSOPYIIMOZJDB-UHFFFAOYSA-N
XLogP3.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 97463841) is cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is O=C(C1CC=CC1)N1CCc2c(COCc3ccncc3)cncc2C1.
What is the InChIKey of cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is AKSOPYIIMOZJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(17-3-1-2-4-17)24-10-7-20-18(13-24)11-23-12-19(20)15-26-14-16-5-8-22-9-6-16/h1-2,5-6,8-9,11-12,17H,3-4,7,10,13-15H2.
What are the key properties of cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 97463841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).