5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine

C19H20N4O — CID 23646954

IUPAC5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2cccnc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c20-16(9-15-5-2-1-3-6-15)14-24-19-10-18(12-22-13-19)23-17-7-4-8-21-11-17/h1-8,10-13,16,23H,9,14,20H2/t16-/m0/s1
InChIKeyVHIJSEUJLNFOIL-INIZCTEOSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds7

About 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine

5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine (PubChem CID 23646954) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine
PubChem CID23646954
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2cccnc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c20-16(9-15-5-2-1-3-6-15)14-24-19-10-18(12-22-13-19)23-17-7-4-8-21-11-17/h1-8,10-13,16,23H,9,14,20H2/t16-/m0/s1
InChIKeyVHIJSEUJLNFOIL-INIZCTEOSA-N
XLogP3.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine?
The IUPAC name of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine (CID 23646954) is 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine is N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1ccccc1.
What is the InChIKey of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine?
The InChIKey is VHIJSEUJLNFOIL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O/c20-16(9-15-5-2-1-3-6-15)14-24-19-10-18(12-22-13-19)23-17-7-4-8-21-11-17/h1-8,10-13,16,23H,9,14,20H2/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine?
5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine has a molecular weight of 320.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 23646954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).