6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

C17H13N3O3 — CID 56715579

IUPAC6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCc3ccc(O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c18-10-12-9-14-15(19-16(12)22)6-8-20(17(14)23)7-5-11-1-3-13(21)4-2-11/h1-4,6,8-9,21H,5,7H2,(H,19,22)
InChIKeySZSHICLQYUSELV-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.51
Rot. Bonds3

About 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56715579) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56715579
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCc3ccc(O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c18-10-12-9-14-15(19-16(12)22)6-8-20(17(14)23)7-5-11-1-3-13(21)4-2-11/h1-4,6,8-9,21H,5,7H2,(H,19,22)
InChIKeySZSHICLQYUSELV-UHFFFAOYSA-N
XLogP1.51
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56715579) is 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(CCc3ccc(O)cc3)ccc2[nH]c1=O.
What is the InChIKey of 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is SZSHICLQYUSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-10-12-9-14-15(19-16(12)22)6-8-20(17(14)23)7-5-11-1-3-13(21)4-2-11/h1-4,6,8-9,21H,5,7H2,(H,19,22).
What are the key properties of 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 307.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56715579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).