N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide

C11H17N2O2+ — CID 3239835

IUPACN,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide
SMILESCCN(CC)C(=O)[n+]1ccc(OC)cc1
InChIInChI=1S/C11H17N2O2/c1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h6-9H,4-5H2,1-3H3/q+1
InChIKeyHUKCQESITGCOHV-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.29
Rot. Bonds3

About N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide

N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide (PubChem CID 3239835) has the molecular formula C11H17N2O2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide
PubChem CID3239835
Molecular FormulaC11H17N2O2+
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide
SMILESCCN(CC)C(=O)[n+]1ccc(OC)cc1
InChIInChI=1S/C11H17N2O2/c1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h6-9H,4-5H2,1-3H3/q+1
InChIKeyHUKCQESITGCOHV-UHFFFAOYSA-N
XLogP1.29
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-Methoxypyridine
CID 10898715
4-Methoxypyridine N-oxide
CID 70743
3-Iodo-4-methoxypyridine
CID 902131
4-Methoxypyridine
CID 69278
4-methoxy-N-methylpyridin-2-amine
CID 55276258
4-Ethoxypyridine
CID 141781
2-Fluoro-4-methoxypyridine
CID 21464361
4-Methoxypyridine N-oxide hydrate
CID 16212293
1-(Diethylcarbamoyl)-4-methoxypyridin-1-ium tetraphenylborate
CID 3239834
N-ethyl-2-(4-methoxy-3-pyridinyl)-N-methylethanamine
CID 44403261
1-[2-[Di(propan-2-yl)amino]ethyl]-1-(4-methoxy-2-pyridinyl)-3,3-dimethylurea
CID 12857652
Pyridinium, 4-methoxy-1-methyl-
CID 181751

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide (CID 3239835) is N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide is CCN(CC)C(=O)[n+]1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide?
The InChIKey is HUKCQESITGCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O2/c1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h6-9H,4-5H2,1-3H3/q+1.
What are the key properties of N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide?
N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxypyridin-1-ium-1-carboxamide is sourced from PubChem (CID 3239835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).