6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine

C17H18F3N3O — CID 123542774

IUPAC6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)cc(NC2CCOCC2)n1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-11(2-4-13)12-9-15(21)23-16(10-12)22-14-5-7-24-8-6-14/h1-4,9-10,14H,5-8H2,(H3,21,22,23)
InChIKeyJKSUKCXDNWPCIZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.94
Rot. Bonds3

About 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine

6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine (PubChem CID 123542774) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
PubChem CID123542774
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)cc(NC2CCOCC2)n1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-11(2-4-13)12-9-15(21)23-16(10-12)22-14-5-7-24-8-6-14/h1-4,9-10,14H,5-8H2,(H3,21,22,23)
InChIKeyJKSUKCXDNWPCIZ-UHFFFAOYSA-N
XLogP3.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine (CID 123542774) is 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine is Nc1cc(-c2ccc(C(F)(F)F)cc2)cc(NC2CCOCC2)n1.
What is the InChIKey of 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The InChIKey is JKSUKCXDNWPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-11(2-4-13)12-9-15(21)23-16(10-12)22-14-5-7-24-8-6-14/h1-4,9-10,14H,5-8H2,(H3,21,22,23).
What are the key properties of 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine has a molecular weight of 337.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 123542774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).