5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine

C22H17FN4 — CID 69235263

IUPAC5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCc1cc(Nc2cccc(-c3ccccn3)n2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN4/c1-15-13-22(25-14-18(15)16-8-10-17(23)11-9-16)27-21-7-4-6-20(26-21)19-5-2-3-12-24-19/h2-14H,1H3,(H,25,26,27)
InChIKeyLXDWVYFCKXZBKR-UHFFFAOYSA-N
MW356.40 g/mol
LogP5.40
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine

5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine (PubChem CID 69235263) has the molecular formula C22H17FN4 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine
PubChem CID69235263
Molecular FormulaC22H17FN4
Molecular Weight356.40 g/mol
Exact Mass356.14
IUPAC Name5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCc1cc(Nc2cccc(-c3ccccn3)n2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN4/c1-15-13-22(25-14-18(15)16-8-10-17(23)11-9-16)27-21-7-4-6-20(26-21)19-5-2-3-12-24-19/h2-14H,1H3,(H,25,26,27)
InChIKeyLXDWVYFCKXZBKR-UHFFFAOYSA-N
XLogP5.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine (CID 69235263) is 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine is Cc1cc(Nc2cccc(-c3ccccn3)n2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine?
The InChIKey is LXDWVYFCKXZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4/c1-15-13-22(25-14-18(15)16-8-10-17(23)11-9-16)27-21-7-4-6-20(26-21)19-5-2-3-12-24-19/h2-14H,1H3,(H,25,26,27).
What are the key properties of 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine?
5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine has a molecular weight of 356.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-N-(6-pyridin-2-yl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 69235263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).