6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide

C24H24F3N3O3 — CID 68747811

IUPAC6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide
SMILESCC(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O3/c1-16(29-14-18-3-2-4-21(13-18)33-24(25,26)27)5-6-17-7-10-20(11-8-17)32-22-12-9-19(15-30-22)23(28)31/h2-4,7-13,15-16,29H,5-6,14H2,1H3,(H2,28,31)
InChIKeyBQQMHXUWDUGJTI-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.98
Rot. Bonds10

About 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide

6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68747811) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide
PubChem CID68747811
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide
SMILESCC(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O3/c1-16(29-14-18-3-2-4-21(13-18)33-24(25,26)27)5-6-17-7-10-20(11-8-17)32-22-12-9-19(15-30-22)23(28)31/h2-4,7-13,15-16,29H,5-6,14H2,1H3,(H2,28,31)
InChIKeyBQQMHXUWDUGJTI-UHFFFAOYSA-N
XLogP4.98
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730004

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide (CID 68747811) is 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide is CC(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is BQQMHXUWDUGJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-16(29-14-18-3-2-4-21(13-18)33-24(25,26)27)5-6-17-7-10-20(11-8-17)32-22-12-9-19(15-30-22)23(28)31/h2-4,7-13,15-16,29H,5-6,14H2,1H3,(H2,28,31).
What are the key properties of 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide?
6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68747811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).