(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine

C22H23N3O — CID 23646970

IUPAC(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine
SMILESN[C@@H](CCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C22H23N3O/c23-21(9-8-18-4-2-1-3-5-18)17-26-22-14-20(15-25-16-22)7-6-19-10-12-24-13-11-19/h1-7,10-16,21H,8-9,17,23H2/b7-6+/t21-/m0/s1
InChIKeyUHEKFNIUGJXZOP-BXKJMJEDSA-N
MW345.45 g/mol
LogP3.99
Rot. Bonds8

About (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine

(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine (PubChem CID 23646970) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine.

Molecular Properties

Compound Name(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine
PubChem CID23646970
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine
SMILESN[C@@H](CCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C22H23N3O/c23-21(9-8-18-4-2-1-3-5-18)17-26-22-14-20(15-25-16-22)7-6-19-10-12-24-13-11-19/h1-7,10-16,21H,8-9,17,23H2/b7-6+/t21-/m0/s1
InChIKeyUHEKFNIUGJXZOP-BXKJMJEDSA-N
XLogP3.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine?
The IUPAC name of (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine (CID 23646970) is (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine.
What is the SMILES notation for (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine?
The canonical SMILES for (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine is N[C@@H](CCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine?
The InChIKey is UHEKFNIUGJXZOP-BXKJMJEDSA-N. The full InChI is InChI=1S/C22H23N3O/c23-21(9-8-18-4-2-1-3-5-18)17-26-22-14-20(15-25-16-22)7-6-19-10-12-24-13-11-19/h1-7,10-16,21H,8-9,17,23H2/b7-6+/t21-/m0/s1.
What are the key properties of (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine?
(2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-1-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]butan-2-amine is sourced from PubChem (CID 23646970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).