4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide

C20H21N3O3 — CID 70782828

IUPAC4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)cc(C)[nH]c3=O)c2n1
InChIInChI=1S/C20H21N3O3/c1-12-11-14(3)23-20(25)17(12)19(24)21-9-10-26-16-6-4-5-15-8-7-13(2)22-18(15)16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyOXSRBTBZXVNBEH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.66
Rot. Bonds5

About 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70782828) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70782828
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)cc(C)[nH]c3=O)c2n1
InChIInChI=1S/C20H21N3O3/c1-12-11-14(3)23-20(25)17(12)19(24)21-9-10-26-16-6-4-5-15-8-7-13(2)22-18(15)16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyOXSRBTBZXVNBEH-UHFFFAOYSA-N
XLogP2.66
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide 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

6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
CID 170504165
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 74242121
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74243480
4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
CID 162632263
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70782828) is 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc2cccc(OCCNC(=O)c3c(C)cc(C)[nH]c3=O)c2n1.
What is the InChIKey of 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OXSRBTBZXVNBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-11-14(3)23-20(25)17(12)19(24)21-9-10-26-16-6-4-5-15-8-7-13(2)22-18(15)16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70782828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).