3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

C22H25N3O2 — CID 15228746

IUPAC3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCCN(CC)CC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C22H25N3O2/c1-5-24(6-2)15-18-21(25-12-8-7-9-20(25)26)17-13-16(14-23)10-11-19(17)27-22(18,3)4/h7-13H,5-6,15H2,1-4H3
InChIKeyVJICRZDRAFMBTD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.49
Rot. Bonds5

About 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (PubChem CID 15228746) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.

Molecular Properties

Compound Name3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
PubChem CID15228746
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCCN(CC)CC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C22H25N3O2/c1-5-24(6-2)15-18-21(25-12-8-7-9-20(25)26)17-13-16(14-23)10-11-19(17)27-22(18,3)4/h7-13H,5-6,15H2,1-4H3
InChIKeyVJICRZDRAFMBTD-UHFFFAOYSA-N
XLogP3.49
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The IUPAC name of 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (CID 15228746) is 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.
What is the SMILES notation for 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The canonical SMILES for 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is CCN(CC)CC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C.
What is the InChIKey of 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The InChIKey is VJICRZDRAFMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-24(6-2)15-18-21(25-12-8-7-9-20(25)26)17-13-16(14-23)10-11-19(17)27-22(18,3)4/h7-13H,5-6,15H2,1-4H3.
What are the key properties of 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile has a molecular weight of 363.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is sourced from PubChem (CID 15228746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).