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'}

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Related Compounds

4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 19092583
4-[4-(4-hydroxybutyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 19092511
2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile
CID 19092554
2-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-4-pyridinyl]ethyl methanesulfonate
CID 19092598
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527
4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511115
4-(2-acetylpyrrol-1-yl)-2,2-dimethylchromene-6-carbonitrile
CID 15748996
N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide
CID 14182561
[3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-4-pyridinyl]-3-methylsulfonyloxypropyl] methanesulfonate
CID 19092586
2,2-dimethyl-4-(5-oxo-6-sulfanylidene-2H-pyridin-1-yl)chromene-6-carbonitrile
CID 22122760
4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 19895584
4-(1,1-dioxothiazinan-2-yl)-2,2-dimethylchromene-6-carbonitrile
CID 14511116

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).