(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile

C19H18N2O2 — CID 23238128

IUPAC(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
SMILESCO[C@]1(C)C[C@H](c2cccnc2)C(C#N)=C(c2ccccc2)O1
InChIInChI=1S/C19H18N2O2/c1-19(22-2)11-16(15-9-6-10-21-13-15)17(12-20)18(23-19)14-7-4-3-5-8-14/h3-10,13,16H,11H2,1-2H3/t16-,19+/m1/s1
InChIKeyFDJSEYWSEHKAHS-APWZRJJASA-N
MW306.37 g/mol
LogP3.88
Rot. Bonds3

About (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile

(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile (PubChem CID 23238128) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile.

Molecular Properties

Compound Name(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
PubChem CID23238128
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
SMILESCO[C@]1(C)C[C@H](c2cccnc2)C(C#N)=C(c2ccccc2)O1
InChIInChI=1S/C19H18N2O2/c1-19(22-2)11-16(15-9-6-10-21-13-15)17(12-20)18(23-19)14-7-4-3-5-8-14/h3-10,13,16H,11H2,1-2H3/t16-,19+/m1/s1
InChIKeyFDJSEYWSEHKAHS-APWZRJJASA-N
XLogP3.88
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile?
The IUPAC name of (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile (CID 23238128) is (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile.
What is the SMILES notation for (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile?
The canonical SMILES for (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile is CO[C@]1(C)C[C@H](c2cccnc2)C(C#N)=C(c2ccccc2)O1.
What is the InChIKey of (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile?
The InChIKey is FDJSEYWSEHKAHS-APWZRJJASA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(22-2)11-16(15-9-6-10-21-13-15)17(12-20)18(23-19)14-7-4-3-5-8-14/h3-10,13,16H,11H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile?
(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile is sourced from PubChem (CID 23238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).