N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine

C24H21N5O — CID 75731939

IUPACN-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/[C@@H](COCc1ccc(-c2cnccn2)nc1)c1ccccc1)\c1ccccn1
InChIInChI=1S/C24H21N5O/c1-2-6-20(7-3-1)24(29-15-21-8-4-5-11-26-21)18-30-17-19-9-10-22(28-14-19)23-16-25-12-13-27-23/h1-16,24H,17-18H2/b29-15+/t24-/m0/s1
InChIKeyXQIRFDXKMGQQOH-HQYUJTHISA-N
MW395.47 g/mol
LogP4.31
Rot. Bonds8

About N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine

N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine (PubChem CID 75731939) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine
PubChem CID75731939
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/[C@@H](COCc1ccc(-c2cnccn2)nc1)c1ccccc1)\c1ccccn1
InChIInChI=1S/C24H21N5O/c1-2-6-20(7-3-1)24(29-15-21-8-4-5-11-26-21)18-30-17-19-9-10-22(28-14-19)23-16-25-12-13-27-23/h1-16,24H,17-18H2/b29-15+/t24-/m0/s1
InChIKeyXQIRFDXKMGQQOH-HQYUJTHISA-N
XLogP4.31
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine
CID 75731928
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-1-[5-[5-[[6-[[(1R)-1-phenyl-2-phenylmethoxyethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methanimine);tetraperchlorate
CID 56597814
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
N-(1-phenyl-2-phenylmethoxyethyl)pyrazin-2-amine
CID 133346280
2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine
CID 102140816
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
dizinc;tris(N-[(1R)-1-(4-nitrophenyl)ethyl]-1-[5-[(6-pyridin-2-yl-3-pyridinyl)methoxy]-2-pyridinyl]methanimine);tetraperchlorate
CID 75731947
2-pyrazin-2-yl-6-pyridin-2-ylpyrazine
CID 174709673
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078094
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-(6-pyridin-2-yl-3-pyridinyl)acetonitrile
CID 121008779
1-(1-methylbenzimidazol-2-yl)-N-[2-[[4-[[2-[(1-methylbenzimidazol-2-yl)methylideneamino]-2-phosphanylethoxy]methyl]phenyl]methoxy]-1-phenylethyl]methanimine
CID 123167168

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine (CID 75731939) is N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine is C(=N/[C@@H](COCc1ccc(-c2cnccn2)nc1)c1ccccc1)\c1ccccn1.
What is the InChIKey of N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is XQIRFDXKMGQQOH-HQYUJTHISA-N. The full InChI is InChI=1S/C24H21N5O/c1-2-6-20(7-3-1)24(29-15-21-8-4-5-11-26-21)18-30-17-19-9-10-22(28-14-19)23-16-25-12-13-27-23/h1-16,24H,17-18H2/b29-15+/t24-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine?
N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 395.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 75731939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).