(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile

C19H25N3O2 — CID 166865986

IUPAC(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile
SMILESC=C(C)/C=c1/c(N2CCC(C)(OC)CC2)c(C#N)c(=O)[nH]/c1=C/C
InChIInChI=1S/C19H25N3O2/c1-6-16-14(11-13(2)3)17(15(12-20)18(23)21-16)22-9-7-19(4,24-5)8-10-22/h6,11H,2,7-10H2,1,3-5H3,(H,21,23)/b14-11+,16-6+
InChIKeyFGSJSOMVICKZGS-DTUQGETDSA-N
MW327.43 g/mol
LogP1.41
Rot. Bonds3

About (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile

(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile (PubChem CID 166865986) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile
PubChem CID166865986
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile
SMILESC=C(C)/C=c1/c(N2CCC(C)(OC)CC2)c(C#N)c(=O)[nH]/c1=C/C
InChIInChI=1S/C19H25N3O2/c1-6-16-14(11-13(2)3)17(15(12-20)18(23)21-16)22-9-7-19(4,24-5)8-10-22/h6,11H,2,7-10H2,1,3-5H3,(H,21,23)/b14-11+,16-6+
InChIKeyFGSJSOMVICKZGS-DTUQGETDSA-N
XLogP1.41
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile?
The IUPAC name of (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile (CID 166865986) is (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile is C=C(C)/C=c1/c(N2CCC(C)(OC)CC2)c(C#N)c(=O)[nH]/c1=C/C.
What is the InChIKey of (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile?
The InChIKey is FGSJSOMVICKZGS-DTUQGETDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-6-16-14(11-13(2)3)17(15(12-20)18(23)21-16)22-9-7-19(4,24-5)8-10-22/h6,11H,2,7-10H2,1,3-5H3,(H,21,23)/b14-11+,16-6+.
What are the key properties of (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile?
(5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-6-ethylidene-4-(4-methoxy-4-methylpiperidin-1-yl)-5-(2-methylprop-2-enylidene)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 166865986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).