1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C20H25F8N3O3 — CID 126722045

IUPAC1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCCN1CCCC1C(=O)NCc1cc(F)c(OCC(F)(C(F)(F)F)C(F)(F)F)nc1OC
InChIInChI=1S/C20H25F8N3O3/c1-3-4-7-31-8-5-6-14(31)15(32)29-10-12-9-13(21)17(30-16(12)33-2)34-11-18(22,19(23,24)25)20(26,27)28/h9,14H,3-8,10-11H2,1-2H3,(H,29,32)
InChIKeyAALAUDRRWRQCEV-UHFFFAOYSA-N
MW507.42 g/mol
LogP4.32
Rot. Bonds10

About 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126722045) has the molecular formula C20H25F8N3O3 and a molecular weight of 507.42 g/mol. Its IUPAC name is 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID126722045
Molecular FormulaC20H25F8N3O3
Molecular Weight507.42 g/mol
Exact Mass507.18
IUPAC Name1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCCN1CCCC1C(=O)NCc1cc(F)c(OCC(F)(C(F)(F)F)C(F)(F)F)nc1OC
InChIInChI=1S/C20H25F8N3O3/c1-3-4-7-31-8-5-6-14(31)15(32)29-10-12-9-13(21)17(30-16(12)33-2)34-11-18(22,19(23,24)25)20(26,27)28/h9,14H,3-8,10-11H2,1-2H3,(H,29,32)
InChIKeyAALAUDRRWRQCEV-UHFFFAOYSA-N
XLogP4.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

tert-butyl (2S)-2-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721614
(2S)-N-[[6-[[(1R)-3,3-difluorocyclopentyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 126721865
tert-butyl 2-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721892
tert-butyl (2S)-2-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721893
(2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-1,4-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 126721502
(2S)-N-[[5-fluoro-2-methoxy-6-(3,3,4,4-tetrafluorobutan-2-yloxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721972
2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 126721588
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721415
(2S)-1-[2-(4-methoxyphenoxy)ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588940
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 135337735
(2S)-2-(azetidin-1-yl)-N-[[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]propanamide;hydrochloride
CID 126721534

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126722045) is 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is CCCCN1CCCC1C(=O)NCc1cc(F)c(OCC(F)(C(F)(F)F)C(F)(F)F)nc1OC.
What is the InChIKey of 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AALAUDRRWRQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F8N3O3/c1-3-4-7-31-8-5-6-14(31)15(32)29-10-12-9-13(21)17(30-16(12)33-2)34-11-18(22,19(23,24)25)20(26,27)28/h9,14H,3-8,10-11H2,1-2H3,(H,29,32).
What are the key properties of 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 507.42 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126722045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).