2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile

C25H22N2O3 — CID 19092554

IUPAC2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(COCc3ccccc3)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C25H22N2O3/c1-25(2)14-22(21-12-19(15-26)8-9-23(21)30-25)27-11-10-20(13-24(27)28)17-29-16-18-6-4-3-5-7-18/h3-14H,16-17H2,1-2H3
InChIKeyQQOAOUCHFFCNOL-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile

2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile (PubChem CID 19092554) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile
PubChem CID19092554
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile
SMILESCC1(C)C=C(n2ccc(COCc3ccccc3)cc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C25H22N2O3/c1-25(2)14-22(21-12-19(15-26)8-9-23(21)30-25)27-11-10-20(13-24(27)28)17-29-16-18-6-4-3-5-7-18/h3-14H,16-17H2,1-2H3
InChIKeyQQOAOUCHFFCNOL-UHFFFAOYSA-N
XLogP4.50
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile?
The IUPAC name of 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile (CID 19092554) is 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile?
The canonical SMILES for 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile is CC1(C)C=C(n2ccc(COCc3ccccc3)cc2=O)c2cc(C#N)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile?
The InChIKey is QQOAOUCHFFCNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-25(2)14-22(21-12-19(15-26)8-9-23(21)30-25)27-11-10-20(13-24(27)28)17-29-16-18-6-4-3-5-7-18/h3-14H,16-17H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile?
2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile has a molecular weight of 398.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile is sourced from PubChem (CID 19092554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).