6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H12N4O3 — CID 176508336

IUPAC6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2c[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C20H12N4O3/c21-10-16-15(12-4-3-5-13(8-12)24(26)27)9-19(23-20(16)25)17-11-22-18-7-2-1-6-14(17)18/h1-9,11,22H,(H,23,25)
InChIKeyHVMWVSARUIALOL-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.97
Rot. Bonds3

About 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 176508336) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID176508336
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2c[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C20H12N4O3/c21-10-16-15(12-4-3-5-13(8-12)24(26)27)9-19(23-20(16)25)17-11-22-18-7-2-1-6-14(17)18/h1-9,11,22H,(H,23,25)
InChIKeyHVMWVSARUIALOL-UHFFFAOYSA-N
XLogP3.97
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
4-(4-nitrophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656741
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
1-[4-[5-cyano-4-(4-nitrophenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-3-phenylurea
CID 177377171
6-(4-nitrophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 19656837
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135
4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656503
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 16790602

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 176508336) is 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2c[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HVMWVSARUIALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c21-10-16-15(12-4-3-5-13(8-12)24(26)27)9-19(23-20(16)25)17-11-22-18-7-2-1-6-14(17)18/h1-9,11,22H,(H,23,25).
What are the key properties of 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 356.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 176508336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).