[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

C20H19N3O2S — CID 97381989

IUPAC[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C20H19N3O2S/c24-20(16-4-8-26-14-16)23-7-3-19-17(11-23)9-22-10-18(19)13-25-12-15-1-5-21-6-2-15/h1-2,4-6,8-10,14H,3,7,11-13H2
InChIKeyGQJXMBSOZBQUQR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.45
Rot. Bonds5

About [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (PubChem CID 97381989) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
PubChem CID97381989
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C20H19N3O2S/c24-20(16-4-8-26-14-16)23-7-3-19-17(11-23)9-22-10-18(19)13-25-12-15-1-5-21-6-2-15/h1-2,4-6,8-10,14H,3,7,11-13H2
InChIKeyGQJXMBSOZBQUQR-UHFFFAOYSA-N
XLogP3.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (CID 97381989) is [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCc2c(COCc3ccncc3)cncc2C1.
What is the InChIKey of [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The InChIKey is GQJXMBSOZBQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-20(16-4-8-26-14-16)23-7-3-19-17(11-23)9-22-10-18(19)13-25-12-15-1-5-21-6-2-15/h1-2,4-6,8-10,14H,3,7,11-13H2.
What are the key properties of [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone has a molecular weight of 365.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97381989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).