4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile

C23H19N3O2 — CID 67887923

IUPAC4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(-c3ccc(N)cc3)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C23H19N3O2/c1-23(2)13-20(19-11-15(14-24)3-8-21(19)28-23)26-10-9-17(12-22(26)27)16-4-6-18(25)7-5-16/h3-13H,25H2,1-2H3
InChIKeyVURGHZFVKKMDGU-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.03
Rot. Bonds2

About 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile

4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile (PubChem CID 67887923) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
PubChem CID67887923
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(-c3ccc(N)cc3)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C23H19N3O2/c1-23(2)13-20(19-11-15(14-24)3-8-21(19)28-23)26-10-9-17(12-22(26)27)16-4-6-18(25)7-5-16/h3-13H,25H2,1-2H3
InChIKeyVURGHZFVKKMDGU-UHFFFAOYSA-N
XLogP4.03
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile 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 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile (CID 67887923) is 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(n2ccc(-c3ccc(N)cc3)cc2=O)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is VURGHZFVKKMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-23(2)13-20(19-11-15(14-24)3-8-21(19)28-23)26-10-9-17(12-22(26)27)16-4-6-18(25)7-5-16/h3-13H,25H2,1-2H3.
What are the key properties of 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 369.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 67887923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).