2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride

C18H20ClN3O2 — CID 45048250

IUPAC2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc(C(=O)C=Cc2ccccn2)cc1.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-21(2)13-18(23)20-16-8-6-14(7-9-16)17(22)11-10-15-5-3-4-12-19-15;/h3-12H,13H2,1-2H3,(H,20,23);1H
InChIKeyHJOSDIYSMPXFIW-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.90
Rot. Bonds6

About 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride

2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride (PubChem CID 45048250) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
PubChem CID45048250
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc(C(=O)C=Cc2ccccn2)cc1.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-21(2)13-18(23)20-16-8-6-14(7-9-16)17(22)11-10-15-5-3-4-12-19-15;/h3-12H,13H2,1-2H3,(H,20,23);1H
InChIKeyHJOSDIYSMPXFIW-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
(2S)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762141
N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 67013433
(2R)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762152
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
(E)-1-[4-hydroxy-3-[[2-(methylamino)ethylamino]methyl]phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 131635682
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride (CID 45048250) is 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride is CN(C)CC(=O)Nc1ccc(C(=O)C=Cc2ccccn2)cc1.Cl.
What is the InChIKey of 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride?
The InChIKey is HJOSDIYSMPXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.ClH/c1-21(2)13-18(23)20-16-8-6-14(7-9-16)17(22)11-10-15-5-3-4-12-19-15;/h3-12H,13H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride?
2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 45048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).