(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile

C25H18N2O2 — CID 2140571

IUPAC(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H18N2O2/c26-16-20-21(17-10-4-1-5-11-17)22(23(28)18-12-6-2-7-13-18)24(29-25(20)27)19-14-8-3-9-15-19/h1-15,21H,27H2/t21-/m1/s1
InChIKeyQXZDPKFQUMXTIV-OAQYLSRUSA-N
MW378.43 g/mol
LogP4.79
Rot. Bonds4

About (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile

(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile (PubChem CID 2140571) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
PubChem CID2140571
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H18N2O2/c26-16-20-21(17-10-4-1-5-11-17)22(23(28)18-12-6-2-7-13-18)24(29-25(20)27)19-14-8-3-9-15-19/h1-15,21H,27H2/t21-/m1/s1
InChIKeyQXZDPKFQUMXTIV-OAQYLSRUSA-N
XLogP4.79
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
CID 5032104
acetonitrile;(4S)-2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CID 139060015
methyl 2-(6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)-2-oxoacetate
CID 45490378
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(4-phenylphenyl)-4H-pyran-3-carboxylate
CID 1035685
ethyl (4R)-6-amino-4-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-phenyl-4H-pyran-3-carboxylate
CID 40613875
ethyl (4R)-6-amino-5-cyano-4-(3,5-dimethoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1239535
ethyl (4R)-6-amino-5-cyano-2-ethyl-4-phenyl-4H-pyran-3-carboxylate
CID 766134
ethyl 6-amino-5-cyano-4-(3,4-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 3121290
3-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)benzoic acid
CID 122691161
ethyl (4S)-6-amino-5-cyano-2,4-bis(4-methylphenyl)-4H-pyran-3-carboxylate
CID 139079838

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile?
The IUPAC name of (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile (CID 2140571) is (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile is N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile?
The InChIKey is QXZDPKFQUMXTIV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H18N2O2/c26-16-20-21(17-10-4-1-5-11-17)22(23(28)18-12-6-2-7-13-18)24(29-25(20)27)19-14-8-3-9-15-19/h1-15,21H,27H2/t21-/m1/s1.
What are the key properties of (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile?
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile has a molecular weight of 378.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 2140571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).