6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide

C18H17F3N2O5 — CID 146343610

IUPAC6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O5/c1-23(25-2)16(24)13-7-8-14(22-15(13)18(19,20)21)28-12-5-3-11(4-6-12)17-26-9-10-27-17/h3-8,17H,9-10H2,1-2H3
InChIKeyYNFWQZAGTGCWPF-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.57
Rot. Bonds5

About 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide

6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146343610) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146343610
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC Name6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O5/c1-23(25-2)16(24)13-7-8-14(22-15(13)18(19,20)21)28-12-5-3-11(4-6-12)17-26-9-10-27-17/h3-8,17H,9-10H2,1-2H3
InChIKeyYNFWQZAGTGCWPF-UHFFFAOYSA-N
XLogP3.57
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 71225895
Methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 134204771
2-Bromo-1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridin-3-yl]ethanone
CID 142410788
N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 142410797
6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 142410798
1-[6-[4-(1,3-Dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridin-3-yl]ethanone
CID 146343608
6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;ethane-1,2-diol;6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 160443936
magnesium;carbanide;6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-[4-(1,3-dioxolan-2-yl)phenoxy]-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
CID 161766373
6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide
CID 163997314
[2-(4-Ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 55596656
2-[4-[[Methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 120392427
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 133833190

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (CID 146343610) is 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F.
What is the InChIKey of 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YNFWQZAGTGCWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c1-23(25-2)16(24)13-7-8-14(22-15(13)18(19,20)21)28-12-5-3-11(4-6-12)17-26-9-10-27-17/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 398.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).