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

C19H21N3O3 — CID 22570254

IUPAC3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1
InChIInChI=1S/C19H21N3O3/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)
InChIKeyPPTIBDHIMCVTIU-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.46
Rot. Bonds9

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

3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid (PubChem CID 22570254) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
PubChem CID22570254
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1
InChIInChI=1S/C19H21N3O3/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)
InChIKeyPPTIBDHIMCVTIU-UHFFFAOYSA-N
XLogP3.46
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 66819216
methyl 2-[[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]methyl]octanoate
CID 22570317
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
(3S)-3-amino-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 122522413
3-naphthalen-2-yl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 142045132
methane;(3S)-3-phenyl-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid
CID 158690897
4-[3-methoxy-2,5-dimethyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 91552613
3-(4-fluorophenyl)-4-[4-[4-(pyridin-2-ylamino)butoxy]phenyl]butanoic acid
CID 139943222
2-[5-methyl-6-oxo-3-[3-(pyridin-2-ylamino)propoxy]-11H-benzo[c][1]benzazepin-11-yl]acetic acid
CID 68558082
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
3-(4-methoxycarbonylphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid
CID 22714470

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid (CID 22570254) is 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid is O=C(O)CCc1cc2cc(OCCCNc3ccccn3)ccc2[nH]1.
What is the InChIKey of 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
The InChIKey is PPTIBDHIMCVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/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).
What are the key properties of 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid?
3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid has a molecular weight of 339.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid is sourced from PubChem (CID 22570254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).