N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C17H19F7N4O2 — CID 126721471

IUPACN-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(N2CC(F)(F)C(F)(F)C(F)(F)C2)c(F)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H19F7N4O2/c1-30-14-9(6-26-13(29)11-3-2-4-25-11)5-10(18)12(27-14)28-7-15(19,20)17(23,24)16(21,22)8-28/h5,11,25H,2-4,6-8H2,1H3,(H,26,29)
InChIKeyRCGSWRVYBSDANM-UHFFFAOYSA-N
MW444.35 g/mol
LogP2.32
Rot. Bonds5

About N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126721471) has the molecular formula C17H19F7N4O2 and a molecular weight of 444.35 g/mol. Its IUPAC name is N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID126721471
Molecular FormulaC17H19F7N4O2
Molecular Weight444.35 g/mol
Exact Mass444.14
IUPAC NameN-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(N2CC(F)(F)C(F)(F)C(F)(F)C2)c(F)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H19F7N4O2/c1-30-14-9(6-26-13(29)11-3-2-4-25-11)5-10(18)12(27-14)28-7-15(19,20)17(23,24)16(21,22)8-28/h5,11,25H,2-4,6-8H2,1H3,(H,26,29)
InChIKeyRCGSWRVYBSDANM-UHFFFAOYSA-N
XLogP2.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721415
(2S)-N-[[6-(3,3-difluoropiperidin-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721946
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
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721985
N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721487
(2S)-N-[[5-fluoro-2-methoxy-6-(3,3,4,4-tetrafluorobutan-2-yloxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721972
(2S)-N-[[6-[(4,4-difluorocyclohexyl)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
N-[[6-(cyclobutylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721520
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721939
(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 135337674

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126721471) is N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is COc1nc(N2CC(F)(F)C(F)(F)C(F)(F)C2)c(F)cc1CNC(=O)C1CCCN1.
What is the InChIKey of N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RCGSWRVYBSDANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F7N4O2/c1-30-14-9(6-26-13(29)11-3-2-4-25-11)5-10(18)12(27-14)28-7-15(19,20)17(23,24)16(21,22)8-28/h5,11,25H,2-4,6-8H2,1H3,(H,26,29).
What are the key properties of N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 444.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126721471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).