N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide

C23H30N4O — CID 176524165

IUPACN-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C=C(NCCN1CCCCC1=C1CC1)c1cnc(C)c(NC(=O)C(=C)C)c1
InChIInChI=1S/C23H30N4O/c1-5-20(19-14-21(17(4)25-15-19)26-23(28)16(2)3)24-11-13-27-12-7-6-8-22(27)18-9-10-18/h14-15,24H,1-2,6-13H2,3-4H3,(H,26,28)
InChIKeyZIRZUYAAXKPZTD-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.15
Rot. Bonds7

About N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide

N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide (PubChem CID 176524165) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
PubChem CID176524165
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C=C(NCCN1CCCCC1=C1CC1)c1cnc(C)c(NC(=O)C(=C)C)c1
InChIInChI=1S/C23H30N4O/c1-5-20(19-14-21(17(4)25-15-19)26-23(28)16(2)3)24-11-13-27-12-7-6-8-22(27)18-9-10-18/h14-15,24H,1-2,6-13H2,3-4H3,(H,26,28)
InChIKeyZIRZUYAAXKPZTD-UHFFFAOYSA-N
XLogP4.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-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

Related Compounds

N-[5-[1-[2-[butyl-[(1-methylcyclopent-3-en-1-yl)methyl]amino]ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
CID 176524162
N-[5-[(E)-1-[2-(2,2-dimethylpiperidin-1-yl)ethylamino]prop-1-enyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide
CID 170634173
ethane;(1E)-2-(3-ethenylidenecyclohepta-1,4,6-trien-1-yl)-N,N-dimethylbuta-1,3-dien-1-amine;2-methyl-N-[2-methyl-5-[1-[2-(2-methyl-2-prop-2-enylpiperidin-1-yl)ethylamino]propa-1,2-dienyl]-3-pyridinyl]prop-2-enamide;molecular hydrogen
CID 170633691
(2Z)-2-[5-[(E)-3-amino-1-(2-fluoroethylimino)but-2-en-2-yl]-3-methylidenethiophen-2-ylidene]-N-[5-[1-[2-(azocan-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]but-3-enamide
CID 176524195
2-bromo-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548202
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198
2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548391
1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
CID 131894861
N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide
CID 167138828
N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170636046
2-methanimidoyl-N-[2-methyl-5-[2-oxo-1-(2-pyrrolidin-1-ylethylamino)ethenyl]phenyl]-4-[1-(1-methylpyrazol-4-yl)ethenylimino]but-2-enamide
CID 176524190

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide (CID 176524165) is N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide is C=C=C(NCCN1CCCCC1=C1CC1)c1cnc(C)c(NC(=O)C(=C)C)c1.
What is the InChIKey of N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
The InChIKey is ZIRZUYAAXKPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-5-20(19-14-21(17(4)25-15-19)26-23(28)16(2)3)24-11-13-27-12-7-6-8-22(27)18-9-10-18/h14-15,24H,1-2,6-13H2,3-4H3,(H,26,28).
What are the key properties of N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide?
N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide has a molecular weight of 378.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2-cyclopropylidenepiperidin-1-yl)ethylamino]propa-1,2-dienyl]-2-methyl-3-pyridinyl]-2-methylprop-2-enamide is sourced from PubChem (CID 176524165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).