(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide

C17H25N3O — CID 51090122

IUPAC(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC1CCCCN1C(C)CNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C17H25N3O/c1-14-6-3-4-11-20(14)15(2)12-19-17(21)9-8-16-7-5-10-18-13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,19,21)/b9-8+
InChIKeyJUKKHINQDGDGRF-CMDGGOBGSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds5

About (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 51090122) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID51090122
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC1CCCCN1C(C)CNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C17H25N3O/c1-14-6-3-4-11-20(14)15(2)12-19-17(21)9-8-16-7-5-10-18-13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,19,21)/b9-8+
InChIKeyJUKKHINQDGDGRF-CMDGGOBGSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide
CID 98727647
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
CID 95378350
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
(E)-N-[4-(1-acetylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 10236764
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 129368276
N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 124732893
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide (CID 51090122) is (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide is CC1CCCCN1C(C)CNC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is JUKKHINQDGDGRF-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-6-3-4-11-20(14)15(2)12-19-17(21)9-8-16-7-5-10-18-13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,19,21)/b9-8+.
What are the key properties of (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 287.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 51090122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).