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

C16H11N3O3 — CID 56709716

IUPAC6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(Cc3ccc(O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C16H11N3O3/c17-8-11-7-13-14(18-15(11)21)5-6-19(16(13)22)9-10-1-3-12(20)4-2-10/h1-7,20H,9H2,(H,18,21)
InChIKeyIFNRGFBQKGYPLY-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.32
Rot. Bonds2

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

6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56709716) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56709716
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(Cc3ccc(O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C16H11N3O3/c17-8-11-7-13-14(18-15(11)21)5-6-19(16(13)22)9-10-1-3-12(20)4-2-10/h1-7,20H,9H2,(H,18,21)
InChIKeyIFNRGFBQKGYPLY-UHFFFAOYSA-N
XLogP1.32
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56709716) is 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(Cc3ccc(O)cc3)ccc2[nH]c1=O.
What is the InChIKey of 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is IFNRGFBQKGYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c17-8-11-7-13-14(18-15(11)21)5-6-19(16(13)22)9-10-1-3-12(20)4-2-10/h1-7,20H,9H2,(H,18,21).
What are the key properties of 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 293.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56709716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).