(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide

C20H20N4O — CID 75533968

IUPAC(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(C)c1cc(CNC(=O)/C=C/c2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-24(2)19-12-16(17-7-3-4-8-18(17)23-19)14-22-20(25)10-9-15-6-5-11-21-13-15/h3-13H,14H2,1-2H3,(H,22,25)/b10-9+
InChIKeyIEHHJJXMECMZSI-MDZDMXLPSA-N
MW332.41 g/mol
LogP3.03
Rot. Bonds5

About (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 75533968) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID75533968
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(C)c1cc(CNC(=O)/C=C/c2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-24(2)19-12-16(17-7-3-4-8-18(17)23-19)14-22-20(25)10-9-15-6-5-11-21-13-15/h3-13H,14H2,1-2H3,(H,22,25)/b10-9+
InChIKeyIEHHJJXMECMZSI-MDZDMXLPSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-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

3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122004546
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 122263482
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51079398
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
CID 95378350

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide (CID 75533968) is (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide is CN(C)c1cc(CNC(=O)/C=C/c2cccnc2)c2ccccc2n1.
What is the InChIKey of (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is IEHHJJXMECMZSI-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(2)19-12-16(17-7-3-4-8-18(17)23-19)14-22-20(25)10-9-15-6-5-11-21-13-15/h3-13H,14H2,1-2H3,(H,22,25)/b10-9+.
What are the key properties of (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 75533968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).