4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

C18H16N2O3 — CID 14511111

IUPAC4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCOc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1
InChIInChI=1S/C18H16N2O3/c1-18(2)10-15(20-7-6-13(22-3)9-17(20)21)14-8-12(11-19)4-5-16(14)23-18/h4-10H,1-3H3
InChIKeyQFPHJANXMIYXPY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds2

About 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (PubChem CID 14511111) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
PubChem CID14511111
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCOc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1
InChIInChI=1S/C18H16N2O3/c1-18(2)10-15(20-7-6-13(22-3)9-17(20)21)14-8-12(11-19)4-5-16(14)23-18/h4-10H,1-3H3
InChIKeyQFPHJANXMIYXPY-UHFFFAOYSA-N
XLogP2.79
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (CID 14511111) is 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is COc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1.
What is the InChIKey of 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is QFPHJANXMIYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-18(2)10-15(20-7-6-13(22-3)9-17(20)21)14-8-12(11-19)4-5-16(14)23-18/h4-10H,1-3H3.
What are the key properties of 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 14511111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).