3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol

C19H15N3O — CID 15604188

IUPAC3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H15N3O/c23-16-10-13(17-4-1-5-19-18(17)6-8-21-19)9-15(11-16)22-14-3-2-7-20-12-14/h1-12,21-23H
InChIKeyOSDZVBKVJAPGEB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.68
Rot. Bonds3

About 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol

3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol (PubChem CID 15604188) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol
PubChem CID15604188
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H15N3O/c23-16-10-13(17-4-1-5-19-18(17)6-8-21-19)9-15(11-16)22-14-3-2-7-20-12-14/h1-12,21-23H
InChIKeyOSDZVBKVJAPGEB-UHFFFAOYSA-N
XLogP4.68
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol (CID 15604188) is 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol is Oc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is OSDZVBKVJAPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-16-10-13(17-4-1-5-19-18(17)6-8-21-19)9-15(11-16)22-14-3-2-7-20-12-14/h1-12,21-23H.
What are the key properties of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol?
3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 301.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 15604188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).