N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C25H23F3N4O3 — CID 66962144

IUPACN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33)
InChIKeyQVCVGFTZZHSUCF-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.11
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 66962144) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID66962144
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33)
InChIKeyQVCVGFTZZHSUCF-UHFFFAOYSA-N
XLogP4.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 66962144) is N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is O=C(NCc1ccccn1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is QVCVGFTZZHSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)18-7-3-6-17(14-18)24(34)32-13-5-9-20(32)16-35-21-10-4-12-30-22(21)23(33)31-15-19-8-1-2-11-29-19/h1-4,6-8,10-12,14,20H,5,9,13,15-16H2,(H,31,33).
What are the key properties of N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 66962144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).