5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine

C19H20N4O — CID 23646953

IUPAC5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2ccncc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c20-16(10-15-4-2-1-3-5-15)14-24-19-11-18(12-22-13-19)23-17-6-8-21-9-7-17/h1-9,11-13,16H,10,14,20H2,(H,21,23)/t16-/m0/s1
InChIKeyAPKFQVPQVASHDW-INIZCTEOSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds7

About 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine

5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine (PubChem CID 23646953) 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-4-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine
PubChem CID23646953
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine
SMILESN[C@H](COc1cncc(Nc2ccncc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c20-16(10-15-4-2-1-3-5-15)14-24-19-11-18(12-22-13-19)23-17-6-8-21-9-7-17/h1-9,11-13,16H,10,14,20H2,(H,21,23)/t16-/m0/s1
InChIKeyAPKFQVPQVASHDW-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine?
The IUPAC name of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine (CID 23646953) is 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine is N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1ccccc1.
What is the InChIKey of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine?
The InChIKey is APKFQVPQVASHDW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O/c20-16(10-15-4-2-1-3-5-15)14-24-19-11-18(12-22-13-19)23-17-6-8-21-9-7-17/h1-9,11-13,16H,10,14,20H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-ylpyridin-3-amine?
5-[(2S)-2-amino-3-phenylpropoxy]-N-pyridin-4-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-4-ylpyridin-3-amine is sourced from PubChem (CID 23646953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).