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

C19H20BrN3O2 — CID 156637750

IUPAC6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
SMILESC=CC1=C(C(=C)Br)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O
InChIInChI=1S/C19H20BrN3O2/c1-5-15-16(12(3)20)7-8-23(19(15)24)13(4)17-9-18(25-6-2)14(10-21)11-22-17/h5,9,11,13H,1,3,6-8H2,2,4H3
InChIKeyBZPSSIYJPMESTI-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.04
Rot. Bonds6

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

6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile (PubChem CID 156637750) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
PubChem CID156637750
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
SMILESC=CC1=C(C(=C)Br)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O
InChIInChI=1S/C19H20BrN3O2/c1-5-15-16(12(3)20)7-8-23(19(15)24)13(4)17-9-18(25-6-2)14(10-21)11-22-17/h5,9,11,13H,1,3,6-8H2,2,4H3
InChIKeyBZPSSIYJPMESTI-UHFFFAOYSA-N
XLogP4.04
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile
CID 156637791
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
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-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
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
CID 142362259
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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile (CID 156637750) is 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile is C=CC1=C(C(=C)Br)CCN(C(C)c2cc(OCC)c(C#N)cn2)C1=O.
What is the InChIKey of 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile?
The InChIKey is BZPSSIYJPMESTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-5-15-16(12(3)20)7-8-23(19(15)24)13(4)17-9-18(25-6-2)14(10-21)11-22-17/h5,9,11,13H,1,3,6-8H2,2,4H3.
What are the key properties of 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile?
6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile has a molecular weight of 402.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 156637750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).