6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine

C21H26FN3O2 — CID 162371744

IUPAC6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine
SMILESCC1(Nc2nc(-c3ccc(F)cc3)ccc2NC2CCOCC2)CCOC1
InChIInChI=1S/C21H26FN3O2/c1-21(10-13-27-14-21)25-20-19(23-17-8-11-26-12-9-17)7-6-18(24-20)15-2-4-16(22)5-3-15/h2-7,17,23H,8-14H2,1H3,(H,24,25)
InChIKeyVPYNOKCAQJXIKN-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.07
Rot. Bonds5

About 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine

6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine (PubChem CID 162371744) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine
PubChem CID162371744
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine
SMILESCC1(Nc2nc(-c3ccc(F)cc3)ccc2NC2CCOCC2)CCOC1
InChIInChI=1S/C21H26FN3O2/c1-21(10-13-27-14-21)25-20-19(23-17-8-11-26-12-9-17)7-6-18(24-20)15-2-4-16(22)5-3-15/h2-7,17,23H,8-14H2,1H3,(H,24,25)
InChIKeyVPYNOKCAQJXIKN-UHFFFAOYSA-N
XLogP4.07
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine?
The IUPAC name of 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine (CID 162371744) is 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine is CC1(Nc2nc(-c3ccc(F)cc3)ccc2NC2CCOCC2)CCOC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine?
The InChIKey is VPYNOKCAQJXIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-21(10-13-27-14-21)25-20-19(23-17-8-11-26-12-9-17)7-6-18(24-20)15-2-4-16(22)5-3-15/h2-7,17,23H,8-14H2,1H3,(H,24,25).
What are the key properties of 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine?
6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine has a molecular weight of 371.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-N-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 162371744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).