(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

C25H23N3O — CID 20744799

IUPAC(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1cccc2ccccc12
InChIInChI=1S/C25H23N3O/c26-23(15-22-6-3-5-21-4-1-2-7-25(21)22)18-29-24-14-20(16-28-17-24)9-8-19-10-12-27-13-11-19/h1-14,16-17,23H,15,18,26H2/b9-8+/t23-/m0/s1
InChIKeyDZQYVIOHGJRCPS-YVSHKSEASA-N
MW381.48 g/mol
LogP4.75
Rot. Bonds7

About (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (PubChem CID 20744799) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
PubChem CID20744799
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1cccc2ccccc12
InChIInChI=1S/C25H23N3O/c26-23(15-22-6-3-5-21-4-1-2-7-25(21)22)18-29-24-14-20(16-28-17-24)9-8-19-10-12-27-13-11-19/h1-14,16-17,23H,15,18,26H2/b9-8+/t23-/m0/s1
InChIKeyDZQYVIOHGJRCPS-YVSHKSEASA-N
XLogP4.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (CID 20744799) is (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is DZQYVIOHGJRCPS-YVSHKSEASA-N. The full InChI is InChI=1S/C25H23N3O/c26-23(15-22-6-3-5-21-4-1-2-7-25(21)22)18-29-24-14-20(16-28-17-24)9-8-19-10-12-27-13-11-19/h1-14,16-17,23H,15,18,26H2/b9-8+/t23-/m0/s1.
What are the key properties of (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 381.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-1-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 20744799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).