5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide

C25H25F3N4O2 — CID 123761914

IUPAC5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC(C)c2ccc(OC3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)c1
InChIInChI=1S/C25H25F3N4O2/c1-16-12-19(14-29-13-16)24(33)30-17(2)18-6-8-20(9-7-18)34-21-10-11-32(15-21)23-5-3-4-22(31-23)25(26,27)28/h3-9,12-14,17,21H,10-11,15H2,1-2H3,(H,30,33)
InChIKeyHLLCUHOASQNJSR-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.95
Rot. Bonds6

About 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide

5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide (PubChem CID 123761914) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
PubChem CID123761914
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC(C)c2ccc(OC3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)c1
InChIInChI=1S/C25H25F3N4O2/c1-16-12-19(14-29-13-16)24(33)30-17(2)18-6-8-20(9-7-18)34-21-10-11-32(15-21)23-5-3-4-22(31-23)25(26,27)28/h3-9,12-14,17,21H,10-11,15H2,1-2H3,(H,30,33)
InChIKeyHLLCUHOASQNJSR-UHFFFAOYSA-N
XLogP4.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide (CID 123761914) is 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide is Cc1cncc(C(=O)NC(C)c2ccc(OC3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)c1.
What is the InChIKey of 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is HLLCUHOASQNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-16-12-19(14-29-13-16)24(33)30-17(2)18-6-8-20(9-7-18)34-21-10-11-32(15-21)23-5-3-4-22(31-23)25(26,27)28/h3-9,12-14,17,21H,10-11,15H2,1-2H3,(H,30,33).
What are the key properties of 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide?
5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 123761914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).