(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine

C21H20N4O — CID 20744784

IUPAC(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c22-18(9-17-12-25-21-4-2-1-3-20(17)21)14-26-19-10-16(11-24-13-19)15-5-7-23-8-6-15/h1-8,10-13,18,25H,9,14,22H2/t18-/m0/s1
InChIKeyJBXZUPCBWLNUJT-SFHVURJKSA-N
MW344.42 g/mol
LogP3.57
Rot. Bonds6

About (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine (PubChem CID 20744784) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine
PubChem CID20744784
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c22-18(9-17-12-25-21-4-2-1-3-20(17)21)14-26-19-10-16(11-24-13-19)15-5-7-23-8-6-15/h1-8,10-13,18,25H,9,14,22H2/t18-/m0/s1
InChIKeyJBXZUPCBWLNUJT-SFHVURJKSA-N
XLogP3.57
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine (CID 20744784) is (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine is N[C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine?
The InChIKey is JBXZUPCBWLNUJT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O/c22-18(9-17-12-25-21-4-2-1-3-20(17)21)14-26-19-10-16(11-24-13-19)15-5-7-23-8-6-15/h1-8,10-13,18,25H,9,14,22H2/t18-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine has a molecular weight of 344.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[(5-pyridin-4-yl-3-pyridinyl)oxy]propan-2-amine is sourced from PubChem (CID 20744784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).