6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide

C16H11F7N2O2 — CID 146305828

IUPAC6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H11F7N2O2/c1-24-13(26)9-2-7-12(25-8-9)27-11-5-3-10(4-6-11)14(17,18)15(19,20)16(21,22)23/h2-8H,1H3,(H,24,26)
InChIKeyLLKUNSUYWGRGHC-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.52
Rot. Bonds5

About 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide

6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide (PubChem CID 146305828) has the molecular formula C16H11F7N2O2 and a molecular weight of 396.26 g/mol. Its IUPAC name is 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide
PubChem CID146305828
Molecular FormulaC16H11F7N2O2
Molecular Weight396.26 g/mol
Exact Mass396.07
IUPAC Name6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H11F7N2O2/c1-24-13(26)9-2-7-12(25-8-9)27-11-5-3-10(4-6-11)14(17,18)15(19,20)16(21,22)23/h2-8H,1H3,(H,24,26)
InChIKeyLLKUNSUYWGRGHC-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide
CID 162609023
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
CID 151676144
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
6-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylpyridine-3-carboxamide
CID 11494330

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide (CID 146305828) is 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1.
What is the InChIKey of 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is LLKUNSUYWGRGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N2O2/c1-24-13(26)9-2-7-12(25-8-9)27-11-5-3-10(4-6-11)14(17,18)15(19,20)16(21,22)23/h2-8H,1H3,(H,24,26).
What are the key properties of 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide?
6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 396.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 146305828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).