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

C18H15N3O3 — CID 56720810

IUPAC6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CC(O)Cc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C18H15N3O3/c19-10-13-9-15-16(20-17(13)23)6-7-21(18(15)24)11-14(22)8-12-4-2-1-3-5-12/h1-7,9,14,22H,8,11H2,(H,20,23)
InChIKeyNJMHZJFPANMFAT-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.17
Rot. Bonds4

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

6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56720810) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56720810
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CC(O)Cc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C18H15N3O3/c19-10-13-9-15-16(20-17(13)23)6-7-21(18(15)24)11-14(22)8-12-4-2-1-3-5-12/h1-7,9,14,22H,8,11H2,(H,20,23)
InChIKeyNJMHZJFPANMFAT-UHFFFAOYSA-N
XLogP1.17
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56720810) is 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(CC(O)Cc3ccccc3)ccc2[nH]c1=O.
What is the InChIKey of 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is NJMHZJFPANMFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c19-10-13-9-15-16(20-17(13)23)6-7-21(18(15)24)11-14(22)8-12-4-2-1-3-5-12/h1-7,9,14,22H,8,11H2,(H,20,23).
What are the key properties of 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-phenylpropyl)-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56720810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).