2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

C21H18N6O2 — CID 6235520

IUPAC2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESCOc1ccc(/C=C(\C#N)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C21H18N6O2/c1-28-16-4-2-14(3-5-16)10-15(11-22)19-17(12-23)20(25)26-21(18(19)13-24)27-6-8-29-9-7-27/h2-5,10H,6-9H2,1H3,(H2,25,26)/b15-10+
InChIKeyKYVJSCFMDRRRJZ-XNTDXEJSSA-N
MW386.42 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (PubChem CID 6235520) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
PubChem CID6235520
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESCOc1ccc(/C=C(\C#N)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C21H18N6O2/c1-28-16-4-2-14(3-5-16)10-15(11-22)19-17(12-23)20(25)26-21(18(19)13-24)27-6-8-29-9-7-27/h2-5,10H,6-9H2,1H3,(H2,25,26)/b15-10+
InChIKeyKYVJSCFMDRRRJZ-XNTDXEJSSA-N
XLogP2.32
TPSA131.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (CID 6235520) is 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is COc1ccc(/C=C(\C#N)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1.
What is the InChIKey of 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The InChIKey is KYVJSCFMDRRRJZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-28-16-4-2-14(3-5-16)10-15(11-22)19-17(12-23)20(25)26-21(18(19)13-24)27-6-8-29-9-7-27/h2-5,10H,6-9H2,1H3,(H2,25,26)/b15-10+.
What are the key properties of 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile has a molecular weight of 386.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 6235520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).