2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile

C20H19N6O+ — CID 7129524

IUPAC2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH+]c(N2CCOCC2)c(C#N)c1[C@@H](C#N)Cc1ccccc1
InChIInChI=1S/C20H18N6O/c21-11-15(10-14-4-2-1-3-5-14)18-16(12-22)19(24)25-20(17(18)13-23)26-6-8-27-9-7-26/h1-5,15H,6-10H2,(H2,24,25)/p+1/t15-/m1/s1
InChIKeyYEFLHKCPGDIVNY-OAHLLOKOSA-O
MW359.41 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile

2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile (PubChem CID 7129524) has the molecular formula C20H19N6O+ and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile
PubChem CID7129524
Molecular FormulaC20H19N6O+
Molecular Weight359.41 g/mol
Exact Mass359.16
IUPAC Name2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH+]c(N2CCOCC2)c(C#N)c1[C@@H](C#N)Cc1ccccc1
InChIInChI=1S/C20H18N6O/c21-11-15(10-14-4-2-1-3-5-14)18-16(12-22)19(24)25-20(17(18)13-23)26-6-8-27-9-7-26/h1-5,15H,6-10H2,(H2,24,25)/p+1/t15-/m1/s1
InChIKeyYEFLHKCPGDIVNY-OAHLLOKOSA-O
XLogP1.51
TPSA124.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(diethylamino)pyridin-1-ium-3,5-dicarbonitrile
CID 7973439
2-morpholin-4-yl-4-phenylbutanenitrile
CID 15907702
1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
CID 6957127
2-amino-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10610954
4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
CID 11076984
2-amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridin-1-ium-3,5-dicarbonitrile
CID 2397121
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile
CID 6938265
1-benzyl-2-methyl-4-morpholin-4-yl-6-sulfanylidenepyrimidine-5-carbonitrile
CID 10404121
4-(4-benzylphenyl)morpholine
CID 11514364
2-morpholin-4-ylbenzonitrile
CID 2737012
(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
CID 142041187

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile (CID 7129524) is 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile is N#Cc1c(N)[nH+]c(N2CCOCC2)c(C#N)c1[C@@H](C#N)Cc1ccccc1.
What is the InChIKey of 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is YEFLHKCPGDIVNY-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H18N6O/c21-11-15(10-14-4-2-1-3-5-14)18-16(12-22)19(24)25-20(17(18)13-23)26-6-8-27-9-7-26/h1-5,15H,6-10H2,(H2,24,25)/p+1/t15-/m1/s1.
What are the key properties of 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile?
2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 359.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 7129524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).