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

C22H26N2O3Si — CID 19092583

IUPAC4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(C(O)C[Si](C)(C)C)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C22H26N2O3Si/c1-22(2)12-18(17-10-15(13-23)6-7-20(17)27-22)24-9-8-16(11-21(24)26)19(25)14-28(3,4)5/h6-12,19,25H,14H2,1-5H3
InChIKeyLAUKHWHZSZDSQM-UHFFFAOYSA-N
MW394.55 g/mol
LogP4.15
Rot. Bonds4

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

4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile (PubChem CID 19092583) has the molecular formula C22H26N2O3Si and a molecular weight of 394.55 g/mol. Its IUPAC name is 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
PubChem CID19092583
Molecular FormulaC22H26N2O3Si
Molecular Weight394.55 g/mol
Exact Mass394.17
IUPAC Name4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(C(O)C[Si](C)(C)C)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C22H26N2O3Si/c1-22(2)12-18(17-10-15(13-23)6-7-20(17)27-22)24-9-8-16(11-21(24)26)19(25)14-28(3,4)5/h6-12,19,25H,14H2,1-5H3
InChIKeyLAUKHWHZSZDSQM-UHFFFAOYSA-N
XLogP4.15
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 67887923
4-[4-(4-hydroxybutyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 19092511
[3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-4-pyridinyl]-3-methylsulfonyloxypropyl] methanesulfonate
CID 19092586
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-(2-acetylpyrrol-1-yl)-2,2-dimethylchromene-6-carbonitrile
CID 15748996
4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511115
N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide
CID 14182561
4-(1,1-dioxothiazinan-2-yl)-2,2-dimethylchromene-6-carbonitrile
CID 14511116
N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 22122714
2,2-dimethyl-4-(5-oxo-6-sulfanylidene-2H-pyridin-1-yl)chromene-6-carbonitrile
CID 22122760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile (CID 19092583) is 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(n2ccc(C(O)C[Si](C)(C)C)cc2=O)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is LAUKHWHZSZDSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3Si/c1-22(2)12-18(17-10-15(13-23)6-7-20(17)27-22)24-9-8-16(11-21(24)26)19(25)14-28(3,4)5/h6-12,19,25H,14H2,1-5H3.
What are the key properties of 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile?
4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 394.55 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 19092583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).