ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H23F3N2O2 — CID 176553620

IUPACethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC/C=C\C(=C/CC)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.CC
InChIInChI=1S/C15H17F3N2O2.C2H6/c1-3-5-12(6-4-2)19-13(21)10-20-9-11(15(16,17)18)7-8-14(20)22;1-2/h3,5-9H,4,10H2,1-2H3,(H,19,21);1-2H3/b5-3-,12-6+;
InChIKeyCGOGOXRMPIISIG-IXKMJOFVSA-N
MW344.38 g/mol
LogP3.88
Rot. Bonds5

About ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 176553620) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID176553620
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Nameethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC/C=C\C(=C/CC)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.CC
InChIInChI=1S/C15H17F3N2O2.C2H6/c1-3-5-12(6-4-2)19-13(21)10-20-9-11(15(16,17)18)7-8-14(20)22;1-2/h3,5-9H,4,10H2,1-2H3,(H,19,21);1-2H3/b5-3-,12-6+;
InChIKeyCGOGOXRMPIISIG-IXKMJOFVSA-N
XLogP3.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

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Related Compounds

N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2122848
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
N-(cyclopenten-1-yl)-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894038
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8894228
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
2,2,2-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019890
N-cyclopropyl-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2623809
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 176553620) is ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C/C=C\C(=C/CC)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.CC.
What is the InChIKey of ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CGOGOXRMPIISIG-IXKMJOFVSA-N. The full InChI is InChI=1S/C15H17F3N2O2.C2H6/c1-3-5-12(6-4-2)19-13(21)10-20-9-11(15(16,17)18)7-8-14(20)22;1-2/h3,5-9H,4,10H2,1-2H3,(H,19,21);1-2H3/b5-3-,12-6+;.
What are the key properties of ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 176553620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).