4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine

C14H14F3N3O — CID 106748378

IUPAC4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1OCCCc1ccncc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-8-12(11(18)9-20-13)21-7-1-2-10-3-5-19-6-4-10/h3-6,8-9H,1-2,7,18H2
InChIKeyVZJDAYZMONJXMX-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.09
Rot. Bonds5

About 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine

4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748378) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748378
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1OCCCc1ccncc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-8-12(11(18)9-20-13)21-7-1-2-10-3-5-19-6-4-10/h3-6,8-9H,1-2,7,18H2
InChIKeyVZJDAYZMONJXMX-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine (CID 106748378) is 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1OCCCc1ccncc1.
What is the InChIKey of 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is VZJDAYZMONJXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)13-8-12(11(18)9-20-13)21-7-1-2-10-3-5-19-6-4-10/h3-6,8-9H,1-2,7,18H2.
What are the key properties of 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine?
4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 297.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).