2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide

C14H15N3O — CID 617813

IUPAC2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide
SMILESCN(C)C=CC(=C(C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(2)9-8-12(13(10-15)14(16)18)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,18)
InChIKeyZZPNHWFXHIRZAT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.52
Rot. Bonds4

About 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide

2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide (PubChem CID 617813) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide
PubChem CID617813
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide
SMILESCN(C)C=CC(=C(C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(2)9-8-12(13(10-15)14(16)18)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,18)
InChIKeyZZPNHWFXHIRZAT-UHFFFAOYSA-N
XLogP1.52
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-2-cyano-3-phenylprop-2-enoic acid
CID 66601927
(Z)-3-amino-2-cyano-4-oxo-4-phenylbut-2-enoic acid
CID 87956362
(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide
CID 13133245
(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
CID 99722458
2-[(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-enylidene]propanedinitrile
CID 6075453
2-cyano-3-methyl-4-phenylbut-2-enamide
CID 68906819
(E)-5-(dimethylamino)-2,2-dimethyl-1-phenylpent-4-ene-1,3-dione
CID 70796761
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
methyl 3-(5-chlorothiophen-2-yl)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 54370500
(E)-1-(1-benzoylcyclopropyl)-3-(dimethylamino)prop-2-en-1-one
CID 102597166
3-anilino-2-cyano-3-methylsulfanylprop-2-enamide
CID 71334604
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(2-cyano-3,3-diphenylprop-2-enoic acid)
CID 173081098

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide?
The IUPAC name of 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide (CID 617813) is 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide.
What is the SMILES notation for 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide?
The canonical SMILES for 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide is CN(C)C=CC(=C(C#N)C(N)=O)c1ccccc1.
What is the InChIKey of 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide?
The InChIKey is ZZPNHWFXHIRZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(2)9-8-12(13(10-15)14(16)18)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide?
2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide has a molecular weight of 241.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide is sourced from PubChem (CID 617813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).