2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile

C17H13N3O3 — CID 56700653

IUPAC2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCOc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c18-11-12-10-14-15(19-16(12)21)6-7-20(17(14)22)8-9-23-13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,19,21)
InChIKeyDVRJXKHYHLXPTH-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.64
Rot. Bonds4

About 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile

2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56700653) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56700653
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCOc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c18-11-12-10-14-15(19-16(12)21)6-7-20(17(14)22)8-9-23-13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,19,21)
InChIKeyDVRJXKHYHLXPTH-UHFFFAOYSA-N
XLogP1.64
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile (CID 56700653) is 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(CCOc3ccccc3)ccc2[nH]c1=O.
What is the InChIKey of 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is DVRJXKHYHLXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-11-12-10-14-15(19-16(12)21)6-7-20(17(14)22)8-9-23-13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,19,21).
What are the key properties of 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile?
2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 307.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56700653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).