6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile

C15H15N2O5P — CID 15322341

IUPAC6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile
SMILESCOP(=O)(OC)c1c(N)oc(-c2ccc(C)cc2)c(C#N)c1=O
InChIInChI=1S/C15H15N2O5P/c1-9-4-6-10(7-5-9)13-11(8-16)12(18)14(15(17)22-13)23(19,20-2)21-3/h4-7H,17H2,1-3H3
InChIKeyOEFHWZDYGOXJGO-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.18
Rot. Bonds4

About 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile

6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile (PubChem CID 15322341) has the molecular formula C15H15N2O5P and a molecular weight of 334.27 g/mol. Its IUPAC name is 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile
PubChem CID15322341
Molecular FormulaC15H15N2O5P
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile
SMILESCOP(=O)(OC)c1c(N)oc(-c2ccc(C)cc2)c(C#N)c1=O
InChIInChI=1S/C15H15N2O5P/c1-9-4-6-10(7-5-9)13-11(8-16)12(18)14(15(17)22-13)23(19,20-2)21-3/h4-7H,17H2,1-3H3
InChIKeyOEFHWZDYGOXJGO-UHFFFAOYSA-N
XLogP2.18
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-(4-chlorophenyl)-5-dimethoxyphosphoryl-4-oxopyran-3-carbonitrile
CID 102093267
6-amino-2-tert-butyl-5-dimethoxyphosphoryl-4-sulfanylidenepyran-3-carbonitrile
CID 5325142
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
2-amino-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-5-phenylfuran-3-carbonitrile
CID 132540338
6-(4-methylphenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11558406
[5-cyano-3-diethoxyphosphoryl-6-(4-fluorophenyl)-4-methylsulfanylpyran-2-ylidene]azanium tetrafluoroborate
CID 15833053
6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
CID 66559410
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 83704376
methyl 4-[3-amino-2,4-dicyano-6-methyl-5-(4-methylphenyl)phenyl]benzoate
CID 11428974
2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile
CID 91735906
2,5-diamino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 70988037
2-amino-4-methyl-5-(3-methylsulfonylphenyl)furan-3-carbonitrile
CID 11242857

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile?
The IUPAC name of 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile (CID 15322341) is 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile.
What is the SMILES notation for 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile?
The canonical SMILES for 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile is COP(=O)(OC)c1c(N)oc(-c2ccc(C)cc2)c(C#N)c1=O.
What is the InChIKey of 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile?
The InChIKey is OEFHWZDYGOXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O5P/c1-9-4-6-10(7-5-9)13-11(8-16)12(18)14(15(17)22-13)23(19,20-2)21-3/h4-7H,17H2,1-3H3.
What are the key properties of 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile?
6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile has a molecular weight of 334.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-dimethoxyphosphoryl-2-(4-methylphenyl)-4-oxopyran-3-carbonitrile is sourced from PubChem (CID 15322341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).