6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H16F3N3O — CID 102719417

IUPAC6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCc2ccoc2)n1
InChIInChI=1S/C14H16F3N3O/c1-2-4-18-12-6-11(14(15,16)17)7-13(20-12)19-8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,18,19,20)
InChIKeyWZCGIKLIJJFOIA-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.13
Rot. Bonds6

About 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719417) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719417
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCc2ccoc2)n1
InChIInChI=1S/C14H16F3N3O/c1-2-4-18-12-6-11(14(15,16)17)7-13(20-12)19-8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,18,19,20)
InChIKeyWZCGIKLIJJFOIA-UHFFFAOYSA-N
XLogP4.13
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721141
6-(furan-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716707
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768408
6-(2-ethylpyrazol-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716720
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567634
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718545
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875571

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719417) is 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1cc(C(F)(F)F)cc(NCc2ccoc2)n1.
What is the InChIKey of 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is WZCGIKLIJJFOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-4-18-12-6-11(14(15,16)17)7-13(20-12)19-8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.30 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).