2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H11N7O4 — CID 169394873

IUPAC2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H11N7O4/c18-5-13-15(14(6-19)17(25)22-16(13)20)10-1-3-12(4-2-10)28-9-23-8-11(7-21-23)24(26)27/h1-4,7-8H,9H2,(H3,20,22,25)
InChIKeyLAUBZIVBLJGVHD-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394873) has the molecular formula C17H11N7O4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394873
Molecular FormulaC17H11N7O4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H11N7O4/c18-5-13-15(14(6-19)17(25)22-16(13)20)10-1-3-12(4-2-10)28-9-23-8-11(7-21-23)24(26)27/h1-4,7-8H,9H2,(H3,20,22,25)
InChIKeyLAUBZIVBLJGVHD-UHFFFAOYSA-N
XLogP1.51
TPSA176.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394873) is 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is LAUBZIVBLJGVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O4/c18-5-13-15(14(6-19)17(25)22-16(13)20)10-1-3-12(4-2-10)28-9-23-8-11(7-21-23)24(26)27/h1-4,7-8H,9H2,(H3,20,22,25).
What are the key properties of 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 377.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(4-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).