2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C18H10N6O4 — CID 169395733

IUPAC2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(Oc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H10N6O4/c19-8-12-15(13(9-20)17(25)23-16(12)21)10-3-5-11(6-4-10)28-18-14(24(26)27)2-1-7-22-18/h1-7H,(H3,21,23,25)
InChIKeyDSDJXGXTHXNAMI-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395733) has the molecular formula C18H10N6O4 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395733
Molecular FormulaC18H10N6O4
Molecular Weight374.32 g/mol
Exact Mass374.08
IUPAC Name2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(Oc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H10N6O4/c19-8-12-15(13(9-20)17(25)23-16(12)21)10-3-5-11(6-4-10)28-18-14(24(26)27)2-1-7-22-18/h1-7H,(H3,21,23,25)
InChIKeyDSDJXGXTHXNAMI-UHFFFAOYSA-N
XLogP2.46
TPSA171.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[3-methoxy-4-(4-nitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394466
2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394873
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-[2-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571844
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393713
2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
4-[[4-[(3-nitro-2-pyridinyl)oxy]phenoxy]methyl]benzonitrile
CID 139780055
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395733) is 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(Oc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is DSDJXGXTHXNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6O4/c19-8-12-15(13(9-20)17(25)23-16(12)21)10-3-5-11(6-4-10)28-18-14(24(26)27)2-1-7-22-18/h1-7H,(H3,21,23,25).
What are the key properties of 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 374.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).