N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide

C19H21N3O3 — CID 166414201

IUPACN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCc2ccc(C)n(C)c2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-5-17(23)22(4)16-10-8-14(9-11-16)18(24)20-12-15-7-6-13(2)21(3)19(15)25/h5-11H,1,12H2,2-4H3,(H,20,24)
InChIKeyFLDSRESCLQBFKW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.77
Rot. Bonds5

About N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide

N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166414201) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166414201
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCc2ccc(C)n(C)c2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-5-17(23)22(4)16-10-8-14(9-11-16)18(24)20-12-15-7-6-13(2)21(3)19(15)25/h5-11H,1,12H2,2-4H3,(H,20,24)
InChIKeyFLDSRESCLQBFKW-UHFFFAOYSA-N
XLogP1.77
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.77
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

N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414086
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414212
4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide
CID 167938507
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414099
N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167935153
4-[methyl(prop-2-enoyl)amino]-N-(1-phenyltriazol-4-yl)benzamide
CID 166413727
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413998
N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167815880
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413722
4-[methyl(prop-2-enoyl)amino]-N-[3-(oxan-2-yl)prop-2-ynyl]benzamide
CID 167804608
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475

Frequently Asked Questions

What is the IUPAC name of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166414201) is N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)NCc2ccc(C)n(C)c2=O)cc1.
What is the InChIKey of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is FLDSRESCLQBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-5-17(23)22(4)16-10-8-14(9-11-16)18(24)20-12-15-7-6-13(2)21(3)19(15)25/h5-11H,1,12H2,2-4H3,(H,20,24).
What are the key properties of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide?
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).