6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine

C22H19FN6 — CID 66829976

IUPAC6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2F)n1
InChIInChI=1S/C22H19FN6/c23-21-17(7-4-11-26-21)18(16-6-2-10-25-14-16)13-15-5-3-12-27-22(15)29-20-9-1-8-19(24)28-20/h1-12,14,18H,13H2,(H3,24,27,28,29)
InChIKeyDWVZLDYIUWSUJB-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.11
Rot. Bonds6

About 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine

6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine (PubChem CID 66829976) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine
PubChem CID66829976
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2F)n1
InChIInChI=1S/C22H19FN6/c23-21-17(7-4-11-26-21)18(16-6-2-10-25-14-16)13-15-5-3-12-27-22(15)29-20-9-1-8-19(24)28-20/h1-12,14,18H,13H2,(H3,24,27,28,29)
InChIKeyDWVZLDYIUWSUJB-UHFFFAOYSA-N
XLogP4.11
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine (CID 66829976) is 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine is Nc1cccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2F)n1.
What is the InChIKey of 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine?
The InChIKey is DWVZLDYIUWSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c23-21-17(7-4-11-26-21)18(16-6-2-10-25-14-16)13-15-5-3-12-27-22(15)29-20-9-1-8-19(24)28-20/h1-12,14,18H,13H2,(H3,24,27,28,29).
What are the key properties of 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine?
6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine has a molecular weight of 386.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]pyridine-2,6-diamine is sourced from PubChem (CID 66829976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).