2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide

C19H22N2O3 — CID 134283988

IUPAC2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C19H22N2O3/c1-14(2)19(23)20-10-12-21-11-9-17(22)18(15(21)3)24-13-16-7-5-4-6-8-16/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23)
InChIKeyGZYABBABBABQOH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds7

About 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide

2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide (PubChem CID 134283988) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide
PubChem CID134283988
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C19H22N2O3/c1-14(2)19(23)20-10-12-21-11-9-17(22)18(15(21)3)24-13-16-7-5-4-6-8-16/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23)
InChIKeyGZYABBABBABQOH-UHFFFAOYSA-N
XLogP2.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-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-(Benzyloxy)-2-methylpyridin-4(1H)-one
CID 2726416
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
2-(Aminomethyl)-3-(benzyloxy)-1,6-dimethyl-1,4-dihydropyridin-4-one
CID 11139785
benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate
CID 155512116
1-Ethyl-2-methyl-3-phenylmethoxypyridin-4-one
CID 14956282
1-Hexyl-2-methyl-3-phenylmethoxypyridin-4-one
CID 14956289
1-(2'-Aminoethyl)-3-benzyloxy-2-methyl-4-pyridinone
CID 44328255
2-Methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one
CID 14956286
2-Methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 14956290
2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16852776
2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-isopropylacetamide
CID 16852791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide (CID 134283988) is 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide is C=C(C)C(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide?
The InChIKey is GZYABBABBABQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)19(23)20-10-12-21-11-9-17(22)18(15(21)3)24-13-16-7-5-4-6-8-16/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide?
2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl]prop-2-enamide is sourced from PubChem (CID 134283988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).