3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol

C20H17N3O — CID 15604423

IUPAC3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESCn1ccc2c(-c3cc(O)cc(Nc4cccnc4)c3)cccc21
InChIInChI=1S/C20H17N3O/c1-23-9-7-19-18(5-2-6-20(19)23)14-10-16(12-17(24)11-14)22-15-4-3-8-21-13-15/h2-13,22,24H,1H3
InChIKeyAYWFGGABPGLKCE-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.69
Rot. Bonds3

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

3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol (PubChem CID 15604423) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol
PubChem CID15604423
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol
SMILESCn1ccc2c(-c3cc(O)cc(Nc4cccnc4)c3)cccc21
InChIInChI=1S/C20H17N3O/c1-23-9-7-19-18(5-2-6-20(19)23)14-10-16(12-17(24)11-14)22-15-4-3-8-21-13-15/h2-13,22,24H,1H3
InChIKeyAYWFGGABPGLKCE-UHFFFAOYSA-N
XLogP4.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol (CID 15604423) is 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol is Cn1ccc2c(-c3cc(O)cc(Nc4cccnc4)c3)cccc21.
What is the InChIKey of 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is AYWFGGABPGLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23-9-7-19-18(5-2-6-20(19)23)14-10-16(12-17(24)11-14)22-15-4-3-8-21-13-15/h2-13,22,24H,1H3.
What are the key properties of 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol?
3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 315.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-4-yl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 15604423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).