3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide

C18H16F6N2O4 — CID 71547711

IUPAC3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide
SMILESCn1c(C(F)(F)F)cc(C(=O)NCCCOc2cccc(C(F)(F)F)c2)c(O)c1=O
InChIInChI=1S/C18H16F6N2O4/c1-26-13(18(22,23)24)9-12(14(27)16(26)29)15(28)25-6-3-7-30-11-5-2-4-10(8-11)17(19,20)21/h2,4-5,8-9,27H,3,6-7H2,1H3,(H,25,28)
InChIKeyDVBIKOCJCARIIP-UHFFFAOYSA-N
MW438.32 g/mol
LogP3.33
Rot. Bonds6

About 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide

3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide (PubChem CID 71547711) has the molecular formula C18H16F6N2O4 and a molecular weight of 438.32 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide
PubChem CID71547711
Molecular FormulaC18H16F6N2O4
Molecular Weight438.32 g/mol
Exact Mass438.10
IUPAC Name3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide
SMILESCn1c(C(F)(F)F)cc(C(=O)NCCCOc2cccc(C(F)(F)F)c2)c(O)c1=O
InChIInChI=1S/C18H16F6N2O4/c1-26-13(18(22,23)24)9-12(14(27)16(26)29)15(28)25-6-3-7-30-11-5-2-4-10(8-11)17(19,20)21/h2,4-5,8-9,27H,3,6-7H2,1H3,(H,25,28)
InChIKeyDVBIKOCJCARIIP-UHFFFAOYSA-N
XLogP3.33
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[[6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
CID 71547553
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CID 30349954
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
3-(2-methylpropyl)-4-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]phthalazine-1-carboxamide
CID 55803155
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
CID 55853865
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide (CID 71547711) is 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide is Cn1c(C(F)(F)F)cc(C(=O)NCCCOc2cccc(C(F)(F)F)c2)c(O)c1=O.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide?
The InChIKey is DVBIKOCJCARIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O4/c1-26-13(18(22,23)24)9-12(14(27)16(26)29)15(28)25-6-3-7-30-11-5-2-4-10(8-11)17(19,20)21/h2,4-5,8-9,27H,3,6-7H2,1H3,(H,25,28).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide has a molecular weight of 438.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 71547711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).