N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

C11H16N2O3 — CID 103337377

IUPACN-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)11(15)9-8-12-5-4-10(9)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyPBZZSOWTGPUESG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.48
Rot. Bonds5

About N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337377) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337377
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)11(15)9-8-12-5-4-10(9)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyPBZZSOWTGPUESG-UHFFFAOYSA-N
XLogP0.48
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337352
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336958
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103337377) is N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is COCCCN(C)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PBZZSOWTGPUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(6-3-7-16-2)11(15)9-8-12-5-4-10(9)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).