6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H18N2O2 — CID 910578

IUPAC6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H18N2O2/c1-18(2)9-13-14(10-19)17(21-3)20-16(15(13)11-22-18)12-7-5-4-6-8-12/h4-8H,9,11H2,1-3H3
InChIKeyVRPOPGBAVTWUJS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.48
Rot. Bonds2

About 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 910578) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID910578
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H18N2O2/c1-18(2)9-13-14(10-19)17(21-3)20-16(15(13)11-22-18)12-7-5-4-6-8-12/h4-8H,9,11H2,1-3H3
InChIKeyVRPOPGBAVTWUJS-UHFFFAOYSA-N
XLogP3.48
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 910578) is 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is VRPOPGBAVTWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2)9-13-14(10-19)17(21-3)20-16(15(13)11-22-18)12-7-5-4-6-8-12/h4-8H,9,11H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 910578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).