N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine

C40H44F6N6O4 — CID 159883482

IUPACN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.FC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/2C20H22F3N3O2/c2*21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h2*1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26)
InChIKeyNTVHLXXIUSKZOD-UHFFFAOYSA-N
MW786.82 g/mol
LogP8.82
Rot. Bonds10

About N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine

N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 159883482) has the molecular formula C40H44F6N6O4 and a molecular weight of 786.82 g/mol. Its IUPAC name is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID159883482
Molecular FormulaC40H44F6N6O4
Molecular Weight786.82 g/mol
Exact Mass786.33
IUPAC NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.FC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/2C20H22F3N3O2/c2*21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h2*1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26)
InChIKeyNTVHLXXIUSKZOD-UHFFFAOYSA-N
XLogP8.82
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.82
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]quinolin-2-amine
CID 54760280
5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
CID 54761374
N-[3-[3-(oxan-4-yl)pyridin-2-yl]oxycyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
CID 54761724
6-[[3-[[3-(Oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile
CID 54761725
5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
CID 54761726
2-[1-(5-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547820
2-[1-(4-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
2-[1-(3-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58548108
3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
CID 58548519
4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
CID 58548588
3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59373967
2-[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 54670582

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine (CID 159883482) is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.FC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.
What is the InChIKey of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NTVHLXXIUSKZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22F3N3O2/c2*21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h2*1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26).
What are the key properties of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 786.82 g/mol, XLogP of 8.82, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159883482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).