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

C19H19BN4O3 — CID 169393205

IUPAC2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(C)OB(c2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)OC1(C)C
InChIInChI=1S/C19H19BN4O3/c1-18(2)19(3,4)27-20(26-18)14-8-6-5-7-11(14)15-12(9-21)16(23)24-17(25)13(15)10-22/h5-8H,1-4H3,(H3,23,24,25)
InChIKeyJPRWKMXLWGMKDO-UHFFFAOYSA-N
MW362.20 g/mol
LogP1.67
Rot. Bonds2

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

2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393205) has the molecular formula C19H19BN4O3 and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393205
Molecular FormulaC19H19BN4O3
Molecular Weight362.20 g/mol
Exact Mass362.16
IUPAC Name2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(C)OB(c2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)OC1(C)C
InChIInChI=1S/C19H19BN4O3/c1-18(2)19(3,4)27-20(26-18)14-8-6-5-7-11(14)15-12(9-21)16(23)24-17(25)13(15)10-22/h5-8H,1-4H3,(H3,23,24,25)
InChIKeyJPRWKMXLWGMKDO-UHFFFAOYSA-N
XLogP1.67
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile (CID 169393205) is 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile is CC1(C)OB(c2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)OC1(C)C.
What is the InChIKey of 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JPRWKMXLWGMKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O3/c1-18(2)19(3,4)27-20(26-18)14-8-6-5-7-11(14)15-12(9-21)16(23)24-17(25)13(15)10-22/h5-8H,1-4H3,(H3,23,24,25).
What are the key properties of 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile?
2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 362.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).