3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide

C18H18N2O5 — CID 135555993

IUPAC3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C18H18N2O5/c1-11-9-15(22)16(18(24)20(11)2)14(21)8-7-12-5-4-6-13(10-12)17(23)19-25-3/h4-10,22H,1-3H3,(H,19,23)/b8-7+
InChIKeyBCXNNERNNWYOFR-BQYQJAHWSA-N
MW342.35 g/mol
LogP1.59
Rot. Bonds5

About 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide

3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide (PubChem CID 135555993) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide
PubChem CID135555993
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C18H18N2O5/c1-11-9-15(22)16(18(24)20(11)2)14(21)8-7-12-5-4-6-13(10-12)17(23)19-25-3/h4-10,22H,1-3H3,(H,19,23)/b8-7+
InChIKeyBCXNNERNNWYOFR-BQYQJAHWSA-N
XLogP1.59
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide 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

4-hydroxy-1,6-dimethyl-3-[3-[3-(oxan-4-ylidenemethyl)phenyl]prop-2-enoyl]pyridin-2-one
CID 136501035
N-(cyanomethyl)-3-[3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]benzamide
CID 136650771
methyl 2-[[3-[(E)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-oxoprop-1-enyl]benzoyl]amino]acetate
CID 135442659
N-(2-methoxyethyl)-2-[3-[3-[4-(2-methoxyethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetamide
CID 67345511
2-[3-[(E)-3-[4-(carboxymethoxy)-1,6-dimethyl-2-oxo-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 23131771
methyl 2-[3-[3-[1,6-dimethyl-2-oxo-4-(prop-2-ynylamino)-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetate
CID 74019988
methyl 2-[3-[3-[3-(cyanomethoxy)phenyl]prop-2-enoyl]-4-hydroxy-6-methyl-2-oxo-1-pyridinyl]acetate
CID 136611320
2-[[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]benzoyl]amino]butanedioic acid
CID 135555974
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134
4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide
CID 163580636
methyl 2-[[3-[3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]benzoyl]amino]acetate
CID 67348042

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide?
The IUPAC name of 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide (CID 135555993) is 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide.
What is the SMILES notation for 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide?
The canonical SMILES for 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide is CONC(=O)c1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1.
What is the InChIKey of 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide?
The InChIKey is BCXNNERNNWYOFR-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-9-15(22)16(18(24)20(11)2)14(21)8-7-12-5-4-6-13(10-12)17(23)19-25-3/h4-10,22H,1-3H3,(H,19,23)/b8-7+.
What are the key properties of 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide?
3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide has a molecular weight of 342.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]-N-methoxybenzamide is sourced from PubChem (CID 135555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).