N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide

C19H12N6O2 — CID 174765964

IUPACN-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide
SMILESN#Cc1cccc(-c2nc(NC=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1
InChIInChI=1S/C19H12N6O2/c20-10-12-5-4-6-13(9-12)16-23-17(21-11-26)15-18(24-16)25(19(27)22-15)14-7-2-1-3-8-14/h1-9,11H,(H,22,27)(H,21,23,24,26)
InChIKeyVKOQNALQYFLVAB-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide

N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide (PubChem CID 174765964) has the molecular formula C19H12N6O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide
PubChem CID174765964
Molecular FormulaC19H12N6O2
Molecular Weight356.35 g/mol
Exact Mass356.10
IUPAC NameN-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide
SMILESN#Cc1cccc(-c2nc(NC=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1
InChIInChI=1S/C19H12N6O2/c20-10-12-5-4-6-13(9-12)16-23-17(21-11-26)15-18(24-16)25(19(27)22-15)14-7-2-1-3-8-14/h1-9,11H,(H,22,27)(H,21,23,24,26)
InChIKeyVKOQNALQYFLVAB-UHFFFAOYSA-N
XLogP2.22
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[4-(methylamino)quinazolin-2-yl]benzonitrile
CID 3233618
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
6-amino-2-methyl-9-phenyl-7H-purin-8-one
CID 174885832
2-(4-ethoxyphenyl)-N-hydroxy-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 130340242
3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
CID 170773098
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774596
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)benzonitrile
CID 71417733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide?
The IUPAC name of N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide (CID 174765964) is N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide.
What is the SMILES notation for N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide?
The canonical SMILES for N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide is N#Cc1cccc(-c2nc(NC=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1.
What is the InChIKey of N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide?
The InChIKey is VKOQNALQYFLVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O2/c20-10-12-5-4-6-13(9-12)16-23-17(21-11-26)15-18(24-16)25(19(27)22-15)14-7-2-1-3-8-14/h1-9,11H,(H,22,27)(H,21,23,24,26).
What are the key properties of N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide?
N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide has a molecular weight of 356.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanophenyl)-8-oxo-9-phenyl-7H-purin-6-yl]formamide is sourced from PubChem (CID 174765964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).