N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone

C17H21N3O3 — CID 159365691

IUPACN-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(C)nc1.CON(C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C9H12N2O2.C8H9NO/c1-7-4-5-8(6-10-7)9(12)11(2)13-3;1-6-3-4-8(5-9-6)7(2)10/h4-6H,1-3H3;3-5H,1-2H3
InChIKeyLJCGVJYYYASVNG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.62
Rot. Bonds3

About N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone

N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 159365691) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound NameN-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
PubChem CID159365691
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(C)nc1.CON(C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C9H12N2O2.C8H9NO/c1-7-4-5-8(6-10-7)9(12)11(2)13-3;1-6-3-4-8(5-9-6)7(2)10/h4-6H,1-3H3;3-5H,1-2H3
InChIKeyLJCGVJYYYASVNG-UHFFFAOYSA-N
XLogP2.62
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone 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

1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
N-methoxy-N-methyl-6-propylpyridine-3-carboxamide
CID 118255839
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
toluene;N,N,6-trimethylpyridine-3-carboxamide;hydrate
CID 159310249
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
N-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55027908
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone (CID 159365691) is N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone is CC(=O)c1ccc(C)nc1.CON(C)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is LJCGVJYYYASVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.C8H9NO/c1-7-4-5-8(6-10-7)9(12)11(2)13-3;1-6-3-4-8(5-9-6)7(2)10/h4-6H,1-3H3;3-5H,1-2H3.
What are the key properties of N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone?
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 159365691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).