2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide

C17H19N3O — CID 123421732

IUPAC2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide
SMILESCC=C(C)C(=O)Nc1cccc(N(C)c2cccnc2)c1
InChIInChI=1S/C17H19N3O/c1-4-13(2)17(21)19-14-7-5-8-15(11-14)20(3)16-9-6-10-18-12-16/h4-12H,1-3H3,(H,19,21)
InChIKeyZULPFCGSZGLFPE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds4

About 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide

2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide (PubChem CID 123421732) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide
PubChem CID123421732
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide
SMILESCC=C(C)C(=O)Nc1cccc(N(C)c2cccnc2)c1
InChIInChI=1S/C17H19N3O/c1-4-13(2)17(21)19-14-7-5-8-15(11-14)20(3)16-9-6-10-18-12-16/h4-12H,1-3H3,(H,19,21)
InChIKeyZULPFCGSZGLFPE-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-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

(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
[3-[[(E)-2-methylbut-2-enoyl]amino]phenyl] N-methylcarbamate
CID 6070588
2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide
CID 123418622
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337764
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
[2-[N-acetyl-3-(pyridin-3-ylmethylamino)anilino]-2-oxoethyl] acetate
CID 54206800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide?
The IUPAC name of 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide (CID 123421732) is 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide is CC=C(C)C(=O)Nc1cccc(N(C)c2cccnc2)c1.
What is the InChIKey of 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide?
The InChIKey is ZULPFCGSZGLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-13(2)17(21)19-14-7-5-8-15(11-14)20(3)16-9-6-10-18-12-16/h4-12H,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide?
2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide is sourced from PubChem (CID 123421732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).