azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid

C19H24N4O3 — CID 66819216

IUPACazane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
SMILESN.O=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1
InChIInChI=1S/C19H21N3O3.H3N/c23-19(24)8-5-15-12-14-13-16(6-7-17(14)22-15)25-11-3-10-21-18-4-1-2-9-20-18;/h1-2,4,6-7,9,12-13,22H,3,5,8,10-11H2,(H,20,21)(H,23,24);1H3
InChIKeyDBKPSMOLLFGKER-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.62
Rot. Bonds9

About azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid

azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid (PubChem CID 66819216) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid.

Molecular Properties

Compound Nameazane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
PubChem CID66819216
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameazane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
SMILESN.O=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1
InChIInChI=1S/C19H21N3O3.H3N/c23-19(24)8-5-15-12-14-13-16(6-7-17(14)22-15)25-11-3-10-21-18-4-1-2-9-20-18;/h1-2,4,6-7,9,12-13,22H,3,5,8,10-11H2,(H,20,21)(H,23,24);1H3
InChIKeyDBKPSMOLLFGKER-UHFFFAOYSA-N
XLogP3.62
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The IUPAC name of azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid (CID 66819216) is azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid.
What is the SMILES notation for azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The canonical SMILES for azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid is N.O=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1.
What is the InChIKey of azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The InChIKey is DBKPSMOLLFGKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.H3N/c23-19(24)8-5-15-12-14-13-16(6-7-17(14)22-15)25-11-3-10-21-18-4-1-2-9-20-18;/h1-2,4,6-7,9,12-13,22H,3,5,8,10-11H2,(H,20,21)(H,23,24);1H3.
What are the key properties of azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid has a molecular weight of 356.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid is sourced from PubChem (CID 66819216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).