3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol

C21H19N3O2 — CID 110453556

IUPAC3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
SMILESCOc1ccc2[nH]cc(C(Nc3cccnc3)c3cccc(O)c3)c2c1
InChIInChI=1S/C21H19N3O2/c1-26-17-7-8-20-18(11-17)19(13-23-20)21(14-4-2-6-16(25)10-14)24-15-5-3-9-22-12-15/h2-13,21,23-25H,1H3
InChIKeyNURBLMYPSLPWGT-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.48
Rot. Bonds5

About 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol

3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol (PubChem CID 110453556) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
PubChem CID110453556
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
SMILESCOc1ccc2[nH]cc(C(Nc3cccnc3)c3cccc(O)c3)c2c1
InChIInChI=1S/C21H19N3O2/c1-26-17-7-8-20-18(11-17)19(13-23-20)21(14-4-2-6-16(25)10-14)24-15-5-3-9-22-12-15/h2-13,21,23-25H,1H3
InChIKeyNURBLMYPSLPWGT-UHFFFAOYSA-N
XLogP4.48
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol?
The IUPAC name of 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol (CID 110453556) is 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol?
The canonical SMILES for 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol is COc1ccc2[nH]cc(C(Nc3cccnc3)c3cccc(O)c3)c2c1.
What is the InChIKey of 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol?
The InChIKey is NURBLMYPSLPWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-17-7-8-20-18(11-17)19(13-23-20)21(14-4-2-6-16(25)10-14)24-15-5-3-9-22-12-15/h2-13,21,23-25H,1H3.
What are the key properties of 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol?
3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol is sourced from PubChem (CID 110453556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).