6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile

C20H23N3O2 — CID 156637791

IUPAC6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile
SMILESC=CC1=C(C(=C)C)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O
InChIInChI=1S/C20H23N3O2/c1-6-16-17(13(3)4)8-9-23(20(16)24)14(5)18-10-19(25-7-2)15(11-21)12-22-18/h6,10,12,14H,1,3,7-9H2,2,4-5H3
InChIKeyNUAIYUBBLHBDJC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.70
Rot. Bonds6

About 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile

6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile (PubChem CID 156637791) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile
PubChem CID156637791
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile
SMILESC=CC1=C(C(=C)C)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O
InChIInChI=1S/C20H23N3O2/c1-6-16-17(13(3)4)8-9-23(20(16)24)14(5)18-10-19(25-7-2)15(11-21)12-22-18/h6,10,12,14H,1,3,7-9H2,2,4-5H3
InChIKeyNUAIYUBBLHBDJC-UHFFFAOYSA-N
XLogP3.70
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
CID 156637750
4-ethoxy-6-[1-(5-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]pyridine-3-carbonitrile
CID 156637792
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
CID 163464520
4-ethoxy-6-[(1S)-1-[5-(6-fluoro-2-methyl-3-pyridinyl)-7-[2-[(2S)-4-hydroxy-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]pyridine-3-carbonitrile
CID 156637722
4-ethoxy-6-[(1S)-1-[7-[[2-(methylamino)imidazol-1-yl]methyl]-1-oxo-5-(pyrrolidin-1-ylmethyl)spiro[3H-isoquinoline-4,1'-cyclobutane]-2-yl]ethyl]pyridine-3-carbonitrile
CID 167107928
6-[(1S)-1-[5-[(3,3-difluoroazetidin-1-yl)methyl]-7-[[2-(methylamino)imidazol-1-yl]methyl]-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
CID 167107545
6-[1-[5-acetyl-7-[2-[ethyl(methyl)amino]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile;6-[1-[5-bromo-7-[2-[ethyl(methyl)amino]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile;4-ethoxy-6-[1-[5-(1-ethoxyethenyl)-7-[2-[ethyl(methyl)amino]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]pyridine-3-carbonitrile;4-ethoxy-6-[1-[7-[2-[ethyl(methyl)amino]ethyl]-1-oxo-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3,4-dihydroisoquinolin-2-yl]ethyl]pyridine-3-carbonitrile;2-ethoxyprop-1-ene;oxolane;trimethyl(trifluoromethyl)silane
CID 167605569
tert-butyl N-[1-[[2-[1-(5-cyano-4-ethoxy-2-pyridinyl)ethyl]-5-(methoxymethyl)-1-oxospiro[3H-isoquinoline-4,1'-cyclobutane]-7-yl]methyl]imidazol-2-yl]-N-methylcarbamate
CID 167107700
6-[1-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-7-[[2-(methylamino)imidazol-1-yl]methyl]-1-oxospiro[3H-isoquinoline-4,1'-cyclobutane]-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
CID 170300337
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
CID 142362259
4-bromo-3-(difluoromethyl)-1-methylpyrazole;6-[1-[5-bromo-7-[2-[(2R,3R)-3-hydroxy-2-methylazetidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile;6-[(1S)-1-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-7-[2-[(2R,3R)-3-hydroxy-2-methylazetidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]-4-ethoxypyridine-3-carbonitrile;4-ethoxy-6-[1-[7-[2-[(2R,3R)-3-hydroxy-2-methylazetidin-1-yl]ethyl]-1-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2-yl]ethyl]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167703869

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile (CID 156637791) is 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile is C=CC1=C(C(=C)C)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O.
What is the InChIKey of 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile?
The InChIKey is NUAIYUBBLHBDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-6-16-17(13(3)4)8-9-23(20(16)24)14(5)18-10-19(25-7-2)15(11-21)12-22-18/h6,10,12,14H,1,3,7-9H2,2,4-5H3.
What are the key properties of 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile?
6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 156637791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).