N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide

C19H22N2O4 — CID 4297780

IUPACN-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide
SMILESCOCCCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H22N2O4/c1-13-16(14(2)22)12-17(19(24)21(13)10-7-11-25-3)20-18(23)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23)
InChIKeyATPBVBYYZUJUGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds7

About N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide

N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide (PubChem CID 4297780) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide
PubChem CID4297780
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide
SMILESCOCCCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H22N2O4/c1-13-16(14(2)22)12-17(19(24)21(13)10-7-11-25-3)20-18(23)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23)
InChIKeyATPBVBYYZUJUGO-UHFFFAOYSA-N
XLogP2.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide (CID 4297780) is N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide is COCCCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O.
What is the InChIKey of N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide?
The InChIKey is ATPBVBYYZUJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-16(14(2)22)12-17(19(24)21(13)10-7-11-25-3)20-18(23)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide?
N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-1-(3-methoxypropyl)-6-methyl-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 4297780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).