5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile

C20H23N3 — CID 142503290

IUPAC5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile
SMILESCC/C=C(\c1cc(C#N)c(C)cc1C)c1cncc(N)c1CC
InChIInChI=1S/C20H23N3/c1-5-7-17(19-11-23-12-20(22)16(19)6-2)18-9-15(10-21)13(3)8-14(18)4/h7-9,11-12H,5-6,22H2,1-4H3/b17-7+
InChIKeyLXYWXKUUMLVIHC-REZTVBANSA-N
MW305.43 g/mol
LogP4.56
Rot. Bonds4

About 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile

5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile (PubChem CID 142503290) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile.

Molecular Properties

Compound Name5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile
PubChem CID142503290
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile
SMILESCC/C=C(\c1cc(C#N)c(C)cc1C)c1cncc(N)c1CC
InChIInChI=1S/C20H23N3/c1-5-7-17(19-11-23-12-20(22)16(19)6-2)18-9-15(10-21)13(3)8-14(18)4/h7-9,11-12H,5-6,22H2,1-4H3/b17-7+
InChIKeyLXYWXKUUMLVIHC-REZTVBANSA-N
XLogP4.56
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-1-(5-amino-4-fluoro-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile;4-methylcyclohexan-1-ol
CID 142503369
5-[(E)-1-(5-amino-4-chloro-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile;ethane;formamide;methylcyclohexane
CID 142502970
5-[(E)-1-(3-amino-2,6-difluorophenyl)but-1-enyl]-2,4-dimethylbenzonitrile
CID 142503046
2,4-dimethyl-5-[(E)-1-[4-methyl-5-(methylamino)-3-pyridinyl]but-1-enyl]benzonitrile;ethane;methylcyclobutane;propane
CID 142503023
5-[(E)-1-(5-amino-4-chloro-3-pyridinyl)pent-1-enyl]-2,4-dimethylbenzonitrile;5,7-dimethyloctan-2-one;ethane
CID 142503096
5-[(E)-1-[4-chloro-5-(methylamino)-3-pyridinyl]but-1-enyl]-2,4-dimethylbenzonitrile;3-methylcyclohexan-1-ol
CID 142502940
5-but-1-en-2-yl-2,4-dimethylbenzonitrile
CID 134513277
ethyl 5-amino-4-cyanopyridine-3-carboxylate
CID 131116989
ethyl 5-cyano-2-formyl-4-methylbenzoate
CID 134633597
5-amino-4-(2-chloroacetyl)-2-methylbenzonitrile
CID 171013121
5-cyano-4-ethyl-2-methylbenzoic acid
CID 130892603
2,4-dimethyl-5-[(E)-pent-2-en-2-yl]aniline;2-methylprop-1-ene
CID 177043566

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile?
The IUPAC name of 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile (CID 142503290) is 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile.
What is the SMILES notation for 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile?
The canonical SMILES for 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile is CC/C=C(\c1cc(C#N)c(C)cc1C)c1cncc(N)c1CC.
What is the InChIKey of 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile?
The InChIKey is LXYWXKUUMLVIHC-REZTVBANSA-N. The full InChI is InChI=1S/C20H23N3/c1-5-7-17(19-11-23-12-20(22)16(19)6-2)18-9-15(10-21)13(3)8-14(18)4/h7-9,11-12H,5-6,22H2,1-4H3/b17-7+.
What are the key properties of 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile?
5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile has a molecular weight of 305.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(5-amino-4-ethyl-3-pyridinyl)but-1-enyl]-2,4-dimethylbenzonitrile is sourced from PubChem (CID 142503290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).