(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

C22H27N3O2 — CID 11371998

IUPAC(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
SMILESCCCCN(CCCC)c1ccc(/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1
InChIInChI=1S/C22H27N3O2/c1-4-6-12-25(13-7-5-2)18-10-8-17(9-11-18)14-19-16(3)20(15-23)22(27)24-21(19)26/h8-11,14H,4-7,12-13H2,1-3H3,(H,24,26,27)/b19-14-
InChIKeyAYUTZGCEENOGPT-RGEXLXHISA-N
MW365.48 g/mol
LogP3.97
Rot. Bonds8

About (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 11371998) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
PubChem CID11371998
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
SMILESCCCCN(CCCC)c1ccc(/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1
InChIInChI=1S/C22H27N3O2/c1-4-6-12-25(13-7-5-2)18-10-8-17(9-11-18)14-19-16(3)20(15-23)22(27)24-21(19)26/h8-11,14H,4-7,12-13H2,1-3H3,(H,24,26,27)/b19-14-
InChIKeyAYUTZGCEENOGPT-RGEXLXHISA-N
XLogP3.97
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[2-(dioctylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 146330180
5-[[4-(dipropylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 740007
5-[[4-(dibutylamino)phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90811025
5-(2-chloroethyl)-3-[[4-(dibutylamino)phenyl]methylidene]-1H-indol-2-one
CID 57288768
2,5-bis[[4-(dibutylamino)phenyl]methylidene]cyclopentan-1-one
CID 69436627
2,4,6-tris[2-[4-[2-[4-(dibutylamino)phenyl]ethenyl]phenyl]ethenyl]benzene-1,3,5-tricarbonitrile
CID 91322161
4-(dibutylamino)benzaldehyde
CID 605391
2-[3-cyano-4-[4-(dihexylamino)phenyl]-5-oxopyrrol-2-ylidene]propanedinitrile
CID 102500049
2-[3-cyano-4-[4-(dioctylamino)phenyl]-5-oxopyrrol-2-ylidene]propanedinitrile
CID 54254080
4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenyl-1H-pyrrole-3-carbonitrile
CID 139958454
2,3-bis[[4-(dibutylamino)phenyl]methylideneamino]but-2-enedinitrile
CID 71374741
2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 4659852

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (CID 11371998) is (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is CCCCN(CCCC)c1ccc(/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1.
What is the InChIKey of (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is AYUTZGCEENOGPT-RGEXLXHISA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-6-12-25(13-7-5-2)18-10-8-17(9-11-18)14-19-16(3)20(15-23)22(27)24-21(19)26/h8-11,14H,4-7,12-13H2,1-3H3,(H,24,26,27)/b19-14-.
What are the key properties of (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
(5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 365.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dibutylamino)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 11371998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).