7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine

C17H16F3N3O — CID 86582321

IUPAC7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESCCCc1nccc2c(Nc3cccc(C(F)(F)F)c3)c(N)oc12
InChIInChI=1S/C17H16F3N3O/c1-2-4-13-15-12(7-8-22-13)14(16(21)24-15)23-11-6-3-5-10(9-11)17(18,19)20/h3,5-9,23H,2,4,21H2,1H3
InChIKeyRCJAABLMTMQMKO-UHFFFAOYSA-N
MW335.33 g/mol
LogP5.12
Rot. Bonds4

About 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine

7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582321) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582321
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESCCCc1nccc2c(Nc3cccc(C(F)(F)F)c3)c(N)oc12
InChIInChI=1S/C17H16F3N3O/c1-2-4-13-15-12(7-8-22-13)14(16(21)24-15)23-11-6-3-5-10(9-11)17(18,19)20/h3,5-9,23H,2,4,21H2,1H3
InChIKeyRCJAABLMTMQMKO-UHFFFAOYSA-N
XLogP5.12
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.33
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (CID 86582321) is 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is CCCc1nccc2c(Nc3cccc(C(F)(F)F)c3)c(N)oc12.
What is the InChIKey of 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is RCJAABLMTMQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-2-4-13-15-12(7-8-22-13)14(16(21)24-15)23-11-6-3-5-10(9-11)17(18,19)20/h3,5-9,23H,2,4,21H2,1H3.
What are the key properties of 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 335.33 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3-N-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).