4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine

C22H16F2N4 — CID 10452031

IUPAC4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1
InChIInChI=1S/C22H16F2N4/c23-17-1-5-19(6-2-17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-7-3-18(24)4-8-20/h1-14H,(H,25,27)(H,26,28)
InChIKeyPVQXGVSFLRLNTD-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.91
Rot. Bonds5

About 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine

4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine (PubChem CID 10452031) has the molecular formula C22H16F2N4 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine
PubChem CID10452031
Molecular FormulaC22H16F2N4
Molecular Weight374.39 g/mol
Exact Mass374.13
IUPAC Name4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1
InChIInChI=1S/C22H16F2N4/c23-17-1-5-19(6-2-17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-7-3-18(24)4-8-20/h1-14H,(H,25,27)(H,26,28)
InChIKeyPVQXGVSFLRLNTD-UHFFFAOYSA-N
XLogP5.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine (CID 10452031) is 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine is Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is PVQXGVSFLRLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4/c23-17-1-5-19(6-2-17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-7-3-18(24)4-8-20/h1-14H,(H,25,27)(H,26,28).
What are the key properties of 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine?
4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 374.39 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-4-pyridinyl]-N-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 10452031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).