2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile

C18H15N3O — CID 15546482

IUPAC2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
SMILESCC1=C(c2ccncc2)C(c2ccccc2)C(C#N)=C(N)O1
InChIInChI=1S/C18H15N3O/c1-12-16(14-7-9-21-10-8-14)17(13-5-3-2-4-6-13)15(11-19)18(20)22-12/h2-10,17H,20H2,1H3
InChIKeyBFSSXTZPNGHABH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.32
Rot. Bonds2

About 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile

2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile (PubChem CID 15546482) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
PubChem CID15546482
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
SMILESCC1=C(c2ccncc2)C(c2ccccc2)C(C#N)=C(N)O1
InChIInChI=1S/C18H15N3O/c1-12-16(14-7-9-21-10-8-14)17(13-5-3-2-4-6-13)15(11-19)18(20)22-12/h2-10,17H,20H2,1H3
InChIKeyBFSSXTZPNGHABH-UHFFFAOYSA-N
XLogP3.32
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
benzyl (4S)-6-amino-5-cyano-2-methyl-4-pyridin-4-yl-4H-pyran-3-carboxylate
CID 690026
(4R,7R)-2-amino-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 975050
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
acetonitrile;(4S)-2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CID 139060015
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(4-phenylphenyl)-4H-pyran-3-carboxylate
CID 1035685
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
6-amino-4-phenyl-4H-oxazine-3,5-dicarbonitrile
CID 11579464

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile (CID 15546482) is 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile is CC1=C(c2ccncc2)C(c2ccccc2)C(C#N)=C(N)O1.
What is the InChIKey of 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile?
The InChIKey is BFSSXTZPNGHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-16(14-7-9-21-10-8-14)17(13-5-3-2-4-6-13)15(11-19)18(20)22-12/h2-10,17H,20H2,1H3.
What are the key properties of 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile?
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 15546482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).