N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine

C19H20F3N3 — CID 70806907

IUPACN-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine
SMILESCCCN(CC)c1cnccc1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C19H20F3N3/c1-3-9-25(4-2)18-12-23-8-7-15(18)17-10-13-5-6-14(19(20,21)22)11-16(13)24-17/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyXJVZQPHYTXAODM-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.01
Rot. Bonds5

About N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine

N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine (PubChem CID 70806907) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine
PubChem CID70806907
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine
SMILESCCCN(CC)c1cnccc1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C19H20F3N3/c1-3-9-25(4-2)18-12-23-8-7-15(18)17-10-13-5-6-14(19(20,21)22)11-16(13)24-17/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyXJVZQPHYTXAODM-UHFFFAOYSA-N
XLogP5.01
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine?
The IUPAC name of N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine (CID 70806907) is N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine.
What is the SMILES notation for N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine?
The canonical SMILES for N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine is CCCN(CC)c1cnccc1C1=Nc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine?
The InChIKey is XJVZQPHYTXAODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c1-3-9-25(4-2)18-12-23-8-7-15(18)17-10-13-5-6-14(19(20,21)22)11-16(13)24-17/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine?
N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine has a molecular weight of 347.38 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-4-[6-(trifluoromethyl)-3H-indol-2-yl]pyridin-3-amine is sourced from PubChem (CID 70806907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).