3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine

C14H14F3N3 — CID 104532161

IUPAC3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H14F3N3/c1-2-5-19-9-6-10(8-18-7-9)20-12-4-3-11(15)13(16)14(12)17/h3-4,6-8,19-20H,2,5H2,1H3
InChIKeyHGNLSVAHEJSNQY-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.06
Rot. Bonds5

About 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine

3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine (PubChem CID 104532161) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
PubChem CID104532161
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H14F3N3/c1-2-5-19-9-6-10(8-18-7-9)20-12-4-3-11(15)13(16)14(12)17/h3-4,6-8,19-20H,2,5H2,1H3
InChIKeyHGNLSVAHEJSNQY-UHFFFAOYSA-N
XLogP4.06
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-N-propyl-3-N-(2,3,4-trifluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112938485
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine (CID 104532161) is 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine is CCCNc1cncc(Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine?
The InChIKey is HGNLSVAHEJSNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-5-19-9-6-10(8-18-7-9)20-12-4-3-11(15)13(16)14(12)17/h3-4,6-8,19-20H,2,5H2,1H3.
What are the key properties of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine?
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine has a molecular weight of 281.28 g/mol, XLogP of 4.06, 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-(2,3,4-trifluorophenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).