2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide

C19H28N2O — CID 129084014

IUPAC2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide
SMILESC=CC1=CC(C)=CN(C(C(=O)NCCCCC)=C(C)C)C1=C
InChIInChI=1S/C19H28N2O/c1-7-9-10-11-20-19(22)18(14(3)4)21-13-15(5)12-17(8-2)16(21)6/h8,12-13H,2,6-7,9-11H2,1,3-5H3,(H,20,22)
InChIKeyZSIJNPWZKXVBNJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.43
Rot. Bonds7

About 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide

2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide (PubChem CID 129084014) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide.

Molecular Properties

Compound Name2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide
PubChem CID129084014
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide
SMILESC=CC1=CC(C)=CN(C(C(=O)NCCCCC)=C(C)C)C1=C
InChIInChI=1S/C19H28N2O/c1-7-9-10-11-20-19(22)18(14(3)4)21-13-15(5)12-17(8-2)16(21)6/h8,12-13H,2,6-7,9-11H2,1,3-5H3,(H,20,22)
InChIKeyZSIJNPWZKXVBNJ-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide 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

N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
N-icosyl-2-methylprop-2-enamide
CID 22336363
N,N'-diheptyloxamide
CID 3417538
(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
CID 125477558
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
butane;N-decyl-2-methylprop-2-enamide;N-decylprop-2-enamide;N-dodecyl-2-methylprop-2-enamide;N-dodecylprop-2-enamide;ethane;methane;2-methyl-N-nonylprop-2-enamide;2-methyl-N-octylprop-2-enamide;2-methyl-N-undecylprop-2-enamide;N-nonylprop-2-enamide;N-octylprop-2-enamide;propane;N-undecylprop-2-enamide
CID 159543173
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N-heptadecylprop-2-enamide
CID 20727742
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide?
The IUPAC name of 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide (CID 129084014) is 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide.
What is the SMILES notation for 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide?
The canonical SMILES for 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide is C=CC1=CC(C)=CN(C(C(=O)NCCCCC)=C(C)C)C1=C.
What is the InChIKey of 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide?
The InChIKey is ZSIJNPWZKXVBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-7-9-10-11-20-19(22)18(14(3)4)21-13-15(5)12-17(8-2)16(21)6/h8,12-13H,2,6-7,9-11H2,1,3-5H3,(H,20,22).
What are the key properties of 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide?
2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide has a molecular weight of 300.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide is sourced from PubChem (CID 129084014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).