4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide

C15H19F3N2O2 — CID 138578414

IUPAC4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
SMILESC=CCC(CC)CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H19F3N2O2/c1-3-5-10(4-2)6-7-13(21)20-12-8-11(15(16,17)18)9-19-14(12)22/h3,8-10H,1,4-7H2,2H3,(H,19,22)(H,20,21)
InChIKeyNECWCZDNMYYBPM-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.71
Rot. Bonds7

About 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide

4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide (PubChem CID 138578414) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide.

Molecular Properties

Compound Name4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
PubChem CID138578414
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
SMILESC=CCC(CC)CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H19F3N2O2/c1-3-5-10(4-2)6-7-13(21)20-12-8-11(15(16,17)18)9-19-14(12)22/h3,8-10H,1,4-7H2,2H3,(H,19,22)(H,20,21)
InChIKeyNECWCZDNMYYBPM-UHFFFAOYSA-N
XLogP3.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111431494
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
CID 55794854
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 94195543
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
CID 55794760
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
CID 119399129
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111859176

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide?
The IUPAC name of 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide (CID 138578414) is 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide.
What is the SMILES notation for 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide?
The canonical SMILES for 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide is C=CCC(CC)CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide?
The InChIKey is NECWCZDNMYYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-5-10(4-2)6-7-13(21)20-12-8-11(15(16,17)18)9-19-14(12)22/h3,8-10H,1,4-7H2,2H3,(H,19,22)(H,20,21).
What are the key properties of 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide?
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide has a molecular weight of 316.32 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide is sourced from PubChem (CID 138578414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).