3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine

C15H16F3N3 — CID 104532313

IUPAC3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H16F3N3/c1-2-6-20-13-8-14(10-19-9-13)21-12-5-3-4-11(7-12)15(16,17)18/h3-5,7-10,20-21H,2,6H2,1H3
InChIKeyIDIOYQGIHWVHLF-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.67
Rot. Bonds5

About 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine

3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine (PubChem CID 104532313) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
PubChem CID104532313
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H16F3N3/c1-2-6-20-13-8-14(10-19-9-13)21-12-5-3-4-11(7-12)15(16,17)18/h3-5,7-10,20-21H,2,6H2,1H3
InChIKeyIDIOYQGIHWVHLF-UHFFFAOYSA-N
XLogP4.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112938631
5-N-propyl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112938432
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
N-butyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54807366

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine (CID 104532313) is 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine is CCCNc1cncc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
The InChIKey is IDIOYQGIHWVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-6-20-13-8-14(10-19-9-13)21-12-5-3-4-11(7-12)15(16,17)18/h3-5,7-10,20-21H,2,6H2,1H3.
What are the key properties of 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine?
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine has a molecular weight of 295.31 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine is sourced from PubChem (CID 104532313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).