[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium

C25H21N4O+ — CID 58524454

IUPAC[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium
SMILESN#Cc1c[nH]c(=O)c2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12
InChIInChI=1S/C25H20N4O/c26-14-18-15-28-24(30)21-13-20(16-5-2-1-3-6-16)22(29-23(18)21)17-7-9-19(10-8-17)25(27)11-4-12-25/h1-3,5-10,13,15H,4,11-12,27H2,(H,28,30)/p+1
InChIKeyNSGFRZQSZGTBQP-UHFFFAOYSA-O
MW393.47 g/mol
LogP3.75
Rot. Bonds3

About [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium

[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium (PubChem CID 58524454) has the molecular formula C25H21N4O+ and a molecular weight of 393.47 g/mol. Its IUPAC name is [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium.

Molecular Properties

Compound Name[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium
PubChem CID58524454
Molecular FormulaC25H21N4O+
Molecular Weight393.47 g/mol
Exact Mass393.17
IUPAC Name[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium
SMILESN#Cc1c[nH]c(=O)c2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12
InChIInChI=1S/C25H20N4O/c26-14-18-15-28-24(30)21-13-20(16-5-2-1-3-6-16)22(29-23(18)21)17-7-9-19(10-8-17)25(27)11-4-12-25/h1-3,5-10,13,15H,4,11-12,27H2,(H,28,30)/p+1
InChIKeyNSGFRZQSZGTBQP-UHFFFAOYSA-O
XLogP3.75
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium with MolForge

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Related Compounds

8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
[1-[4-[8-(4-methylthiophen-2-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]cyclobutyl]carbamic acid
CID 68786347
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
[amino-[4-[8-(2-cyanophenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 67002194
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
8-(1-benzothiophen-7-yl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038202

Frequently Asked Questions

What is the IUPAC name of [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium?
The IUPAC name of [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium (CID 58524454) is [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium.
What is the SMILES notation for [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium?
The canonical SMILES for [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium is N#Cc1c[nH]c(=O)c2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12.
What is the InChIKey of [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium?
The InChIKey is NSGFRZQSZGTBQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H20N4O/c26-14-18-15-28-24(30)21-13-20(16-5-2-1-3-6-16)22(29-23(18)21)17-7-9-19(10-8-17)25(27)11-4-12-25/h1-3,5-10,13,15H,4,11-12,27H2,(H,28,30)/p+1.
What are the key properties of [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium?
[1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium has a molecular weight of 393.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(8-cyano-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]azanium is sourced from PubChem (CID 58524454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).