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

C25H23N3O — CID 10309398

IUPAC(2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O/c26-24(14-20-7-8-22-3-1-2-4-23(22)13-20)18-29-25-15-21(16-28-17-25)6-5-19-9-11-27-12-10-19/h1-13,15-17,24H,14,18,26H2/b6-5+/t24-/m0/s1
InChIKeySSHCMKZQSHDADT-ZFTMLNQLSA-N
MW381.48 g/mol
LogP4.75
Rot. Bonds7

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

(2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (PubChem CID 10309398) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
PubChem CID10309398
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O/c26-24(14-20-7-8-22-3-1-2-4-23(22)13-20)18-29-25-15-21(16-28-17-25)6-5-19-9-11-27-12-10-19/h1-13,15-17,24H,14,18,26H2/b6-5+/t24-/m0/s1
InChIKeySSHCMKZQSHDADT-ZFTMLNQLSA-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-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (CID 10309398) is (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is SSHCMKZQSHDADT-ZFTMLNQLSA-N. The full InChI is InChI=1S/C25H23N3O/c26-24(14-20-7-8-22-3-1-2-4-23(22)13-20)18-29-25-15-21(16-28-17-25)6-5-19-9-11-27-12-10-19/h1-13,15-17,24H,14,18,26H2/b6-5+/t24-/m0/s1.
What are the key properties of (2S)-1-naphthalen-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-naphthalen-2-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-2-yl-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 10309398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).