(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile

C24H20N2O2 — CID 101117525

IUPAC(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccncc3)C(C#N)=C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H20N2O2/c1-27-20-9-7-18(8-10-20)23-15-21(17-11-13-26-14-12-17)22(16-25)24(28-23)19-5-3-2-4-6-19/h2-14,21,23H,15H2,1H3/t21-,23-/m0/s1
InChIKeyDJGXMSGIFUZDPG-GMAHTHKFSA-N
MW368.44 g/mol
LogP5.27
Rot. Bonds4

About (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile

(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile (PubChem CID 101117525) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile
PubChem CID101117525
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccncc3)C(C#N)=C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H20N2O2/c1-27-20-9-7-18(8-10-20)23-15-21(17-11-13-26-14-12-17)22(16-25)24(28-23)19-5-3-2-4-6-19/h2-14,21,23H,15H2,1H3/t21-,23-/m0/s1
InChIKeyDJGXMSGIFUZDPG-GMAHTHKFSA-N
XLogP5.27
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-(4-nitrophenyl)-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117497
(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
CID 23238127
(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
CID 7285391
(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
CID 42645227
(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
CID 15313510
3-(4-methoxyphenyl)-2-methyl-5-pyridin-4-yl-1,2-oxazolidine
CID 141109770
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
CID 23238128
7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol
CID 122444905
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222313
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile?
The IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile (CID 101117525) is (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile.
What is the SMILES notation for (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile?
The canonical SMILES for (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile is COc1ccc([C@@H]2C[C@@H](c3ccncc3)C(C#N)=C(c3ccccc3)O2)cc1.
What is the InChIKey of (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile?
The InChIKey is DJGXMSGIFUZDPG-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-27-20-9-7-18(8-10-20)23-15-21(17-11-13-26-14-12-17)22(16-25)24(28-23)19-5-3-2-4-6-19/h2-14,21,23H,15H2,1H3/t21-,23-/m0/s1.
What are the key properties of (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile?
(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile is sourced from PubChem (CID 101117525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).