2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile

C15H13N3O — CID 600102

IUPAC2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
SMILESCCC1=C(C#N)C(c2ccccc2)C(C#N)=C(N)O1
InChIInChI=1S/C15H13N3O/c1-2-13-11(8-16)14(10-6-4-3-5-7-10)12(9-17)15(18)19-13/h3-7,14H,2,18H2,1H3
InChIKeyGSOBBMPXPFHHPL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds2

About 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile

2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile (PubChem CID 600102) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
PubChem CID600102
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
SMILESCCC1=C(C#N)C(c2ccccc2)C(C#N)=C(N)O1
InChIInChI=1S/C15H13N3O/c1-2-13-11(8-16)14(10-6-4-3-5-7-10)12(9-17)15(18)19-13/h3-7,14H,2,18H2,1H3
InChIKeyGSOBBMPXPFHHPL-UHFFFAOYSA-N
XLogP2.68
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4R)-6-amino-5-cyano-2-ethyl-4-phenyl-4H-pyran-3-carboxylate
CID 766134
ethyl (4R)-6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate
CID 911237
methyl (4R)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-phenyl-4H-pyran-3-carboxylate
CID 1473111
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
acetonitrile;(4S)-2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CID 139060015
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
methyl (4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 7310360
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
ethyl (4S)-6-amino-5-cyano-2-ethyl-4-(4-hydroxyphenyl)-4H-pyran-3-carboxylate
CID 766000
methyl (4S)-6-amino-5-cyano-2-ethyl-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
CID 51563827
methyl (4S)-2-amino-5-cyano-6-ethyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 7327444

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile (CID 600102) is 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile is CCC1=C(C#N)C(c2ccccc2)C(C#N)=C(N)O1.
What is the InChIKey of 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is GSOBBMPXPFHHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-13-11(8-16)14(10-6-4-3-5-7-10)12(9-17)15(18)19-13/h3-7,14H,2,18H2,1H3.
What are the key properties of 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile?
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 600102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).