5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine

C21H21N5O — CID 23646951

IUPAC5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H21N5O/c22-16(9-15-11-25-21-4-2-1-3-20(15)21)14-27-19-10-18(12-24-13-19)26-17-5-7-23-8-6-17/h1-8,10-13,16,25H,9,14,22H2,(H,23,26)/t16-/m0/s1
InChIKeyLEFITUMYPXLPSR-INIZCTEOSA-N
MW359.43 g/mol
LogP3.65
Rot. Bonds7

About 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine

5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine (PubChem CID 23646951) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine
PubChem CID23646951
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H21N5O/c22-16(9-15-11-25-21-4-2-1-3-20(15)21)14-27-19-10-18(12-24-13-19)26-17-5-7-23-8-6-17/h1-8,10-13,16,25H,9,14,22H2,(H,23,26)/t16-/m0/s1
InChIKeyLEFITUMYPXLPSR-INIZCTEOSA-N
XLogP3.65
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine?
The IUPAC name of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine (CID 23646951) is 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine is N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine?
The InChIKey is LEFITUMYPXLPSR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5O/c22-16(9-15-11-25-21-4-2-1-3-20(15)21)14-27-19-10-18(12-24-13-19)26-17-5-7-23-8-6-17/h1-8,10-13,16,25H,9,14,22H2,(H,23,26)/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine?
5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine has a molecular weight of 359.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridin-3-amine is sourced from PubChem (CID 23646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).