(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C16H15F3N2O3 — CID 126636745

IUPAC(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC/C=C/O[C@@H]1CC(C(F)(F)F)=CC=C1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C16H15F3N2O3/c1-2-7-24-13-8-10(16(17,18)19)3-4-12(13)15(23)21-11-5-6-20-14(22)9-11/h2-7,9,13H,8H2,1H3,(H2,20,21,22,23)/b7-2+/t13-/m1/s1
InChIKeyPEFYNDAWXBTOSQ-DRRGCAIJSA-N
MW340.30 g/mol
LogP3.05
Rot. Bonds4

About (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 126636745) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID126636745
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC/C=C/O[C@@H]1CC(C(F)(F)F)=CC=C1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C16H15F3N2O3/c1-2-7-24-13-8-10(16(17,18)19)3-4-12(13)15(23)21-11-5-6-20-14(22)9-11/h2-7,9,13H,8H2,1H3,(H2,20,21,22,23)/b7-2+/t13-/m1/s1
InChIKeyPEFYNDAWXBTOSQ-DRRGCAIJSA-N
XLogP3.05
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034823
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
CID 158204256
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate
CID 103763630
2-(cyclopentylmethoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 90034788

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 126636745) is (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is C/C=C/O[C@@H]1CC(C(F)(F)F)=CC=C1C(=O)Nc1cc[nH]c(=O)c1.
What is the InChIKey of (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is PEFYNDAWXBTOSQ-DRRGCAIJSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-2-7-24-13-8-10(16(17,18)19)3-4-12(13)15(23)21-11-5-6-20-14(22)9-11/h2-7,9,13H,8H2,1H3,(H2,20,21,22,23)/b7-2+/t13-/m1/s1.
What are the key properties of (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 126636745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).