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Home > Pyridines > 866019-91-2
866019-91-2 | (2Z)-2-(3-methoxyphenyl)-3-[6-(piperidin-1-yl)pyridin-3-yl]prop-2-enenitrile
CAS No: 866019-91-2 Catalog No: AG00IU6G MDL No:MFCD04125516
Product Description
Catalog Number:
AG00IU6G
Chemical Name:
(2Z)-2-(3-methoxyphenyl)-3-[6-(piperidin-1-yl)pyridin-3-yl]prop-2-enenitrile
CAS Number:
866019-91-2
Molecular Formula:
C20H21N3O
Molecular Weight:
319.4002
MDL Number:
MFCD04125516
IUPAC Name:
2-(3-methoxyphenyl)-3-(6-piperidin-1-ylpyridin-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C20H21N3O/c1-24-19-7-5-6-17(13-19)18(14-21)12-16-8-9-20(22-15-16)23-10-3-2-4-11-23/h5-9,12-13,15H,2-4,10-11H2,1H3
InChI Key:
USXGGHGLIFYTBY-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(nc1)N1CCCCC1)/c1cccc(c1)OC
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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