2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile

C18H14N2O — CID 14066090

IUPAC2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)20)14-9-5-2-6-10-14/h1-11,15H,20H2
InChIKeyFYEJDTQNJAYRKJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.54
Rot. Bonds2

About 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile

2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile (PubChem CID 14066090) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
PubChem CID14066090
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)20)14-9-5-2-6-10-14/h1-11,15H,20H2
InChIKeyFYEJDTQNJAYRKJ-UHFFFAOYSA-N
XLogP3.54
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-amino-4-phenyl-6-(trifluoromethyl)-4H-pyran-3-carbonitrile
CID 163006780
2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile
CID 139267339
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
N-[4-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-4H-pyran-2-yl]phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 11478040
methyl 2-(6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)-2-oxoacetate
CID 45490378
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
(4R)-4-(4-chlorophenyl)-2-phenyl-4H-chromene
CID 71763257
(4S,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533869
(4R,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533868

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile (CID 14066090) is 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile is N#CC1=C(N)OC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile?
The InChIKey is FYEJDTQNJAYRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)20)14-9-5-2-6-10-14/h1-11,15H,20H2.
What are the key properties of 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile?
2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 14066090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).