4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid

C23H17N3O3 — CID 59374146

IUPAC4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H17N3O3/c27-23(28)17-8-6-16(7-9-17)20-4-3-15-25-22(20)29-19-12-10-18(11-13-19)26-21-5-1-2-14-24-21/h1-15H,(H,24,26)(H,27,28)
InChIKeyYYRUJULDGQSICL-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.38
Rot. Bonds6

About 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid

4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid (PubChem CID 59374146) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
PubChem CID59374146
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H17N3O3/c27-23(28)17-8-6-16(7-9-17)20-4-3-15-25-22(20)29-19-12-10-18(11-13-19)26-21-5-1-2-14-24-21/h1-15H,(H,24,26)(H,27,28)
InChIKeyYYRUJULDGQSICL-UHFFFAOYSA-N
XLogP5.38
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid (CID 59374146) is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid?
The InChIKey is YYRUJULDGQSICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(28)17-8-6-16(7-9-17)20-4-3-15-25-22(20)29-19-12-10-18(11-13-19)26-21-5-1-2-14-24-21/h1-15H,(H,24,26)(H,27,28).
What are the key properties of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid?
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid has a molecular weight of 383.41 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 59374146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).