(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide

C20H18N4O2 — CID 88587861

IUPAC(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(=O)N(C)c1ccccc1)c1cncc(-c2ncon2)c1
InChIInChI=1S/C20H18N4O2/c1-14(16-10-17(12-21-11-16)19-22-13-26-23-19)9-15(2)20(25)24(3)18-7-5-4-6-8-18/h4-13H,1H2,2-3H3/b15-9+
InChIKeyZDKHDFFYCUAWBB-OQLLNIDSSA-N
MW346.39 g/mol
LogP3.75
Rot. Bonds5

About (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide

(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide (PubChem CID 88587861) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide
PubChem CID88587861
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(=O)N(C)c1ccccc1)c1cncc(-c2ncon2)c1
InChIInChI=1S/C20H18N4O2/c1-14(16-10-17(12-21-11-16)19-22-13-26-23-19)9-15(2)20(25)24(3)18-7-5-4-6-8-18/h4-13H,1H2,2-3H3/b15-9+
InChIKeyZDKHDFFYCUAWBB-OQLLNIDSSA-N
XLogP3.75
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide?
The IUPAC name of (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide (CID 88587861) is (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide is C=C(/C=C(\C)C(=O)N(C)c1ccccc1)c1cncc(-c2ncon2)c1.
What is the InChIKey of (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide?
The InChIKey is ZDKHDFFYCUAWBB-OQLLNIDSSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(16-10-17(12-21-11-16)19-22-13-26-23-19)9-15(2)20(25)24(3)18-7-5-4-6-8-18/h4-13H,1H2,2-3H3/b15-9+.
What are the key properties of (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide?
(2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide has a molecular weight of 346.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2-dimethyl-4-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-N-phenylpenta-2,4-dienamide is sourced from PubChem (CID 88587861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).