5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine

C20H20FN3 — CID 170311218

IUPAC5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESCCc1cncc(-c2ccc(NC(C)c3ccccc3F)nc2)c1
InChIInChI=1S/C20H20FN3/c1-3-15-10-17(12-22-11-15)16-8-9-20(23-13-16)24-14(2)18-6-4-5-7-19(18)21/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeySTVIVGHKGPGZMF-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.02
Rot. Bonds5

About 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine

5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 170311218) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID170311218
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESCCc1cncc(-c2ccc(NC(C)c3ccccc3F)nc2)c1
InChIInChI=1S/C20H20FN3/c1-3-15-10-17(12-22-11-15)16-8-9-20(23-13-16)24-14(2)18-6-4-5-7-19(18)21/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeySTVIVGHKGPGZMF-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine (CID 170311218) is 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine is CCc1cncc(-c2ccc(NC(C)c3ccccc3F)nc2)c1.
What is the InChIKey of 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is STVIVGHKGPGZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-3-15-10-17(12-22-11-15)16-8-9-20(23-13-16)24-14(2)18-6-4-5-7-19(18)21/h4-14H,3H2,1-2H3,(H,23,24).
What are the key properties of 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 321.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 170311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).