N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide

C22H34N4O — CID 170634173

IUPACN-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(/C(=C\C)NCCN2CCCCC2(C)C)cnc1C
InChIInChI=1S/C22H34N4O/c1-7-19(23-11-13-26-12-9-8-10-22(26,5)6)18-14-20(17(4)24-15-18)25-21(27)16(2)3/h7,14-15,23H,2,8-13H2,1,3-6H3,(H,25,27)/b19-7+
InChIKeyBAXQCGXLWMFORM-FBCYGCLPSA-N
MW370.54 g/mol
LogP4.12
Rot. Bonds7

About N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide

N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide (PubChem CID 170634173) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
PubChem CID170634173
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(/C(=C\C)NCCN2CCCCC2(C)C)cnc1C
InChIInChI=1S/C22H34N4O/c1-7-19(23-11-13-26-12-9-8-10-22(26,5)6)18-14-20(17(4)24-15-18)25-21(27)16(2)3/h7,14-15,23H,2,8-13H2,1,3-6H3,(H,25,27)/b19-7+
InChIKeyBAXQCGXLWMFORM-FBCYGCLPSA-N
XLogP4.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide (CID 170634173) is N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(/C(=C\C)NCCN2CCCCC2(C)C)cnc1C.
What is the InChIKey of N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The InChIKey is BAXQCGXLWMFORM-FBCYGCLPSA-N. The full InChI is InChI=1S/C22H34N4O/c1-7-19(23-11-13-26-12-9-8-10-22(26,5)6)18-14-20(17(4)24-15-18)25-21(27)16(2)3/h7,14-15,23H,2,8-13H2,1,3-6H3,(H,25,27)/b19-7+.
What are the key properties of N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide has a molecular weight of 370.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide is sourced from PubChem (CID 170634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).