(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

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

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Related Compounds

Pilavapadin
CID 118419773
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
CID 10150682
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
6-{5-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646999
6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000

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).