N,N-dimethylpyridin-1-ium-4-carboxamide

C8H11N2O+ — CID 76541174

IUPACN,N-dimethylpyridin-1-ium-4-carboxamide
SMILESCN(C)C(=O)c1cc[nH+]cc1
InChIInChI=1S/C8H10N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h3-6H,1-2H3/p+1
InChIKeyWYQRNAHSMSMAMV-UHFFFAOYSA-O
MW151.19 g/mol
LogP0.20
Rot. Bonds1

About N,N-dimethylpyridin-1-ium-4-carboxamide

N,N-dimethylpyridin-1-ium-4-carboxamide (PubChem CID 76541174) has the molecular formula C8H11N2O+ and a molecular weight of 151.19 g/mol. Its IUPAC name is N,N-dimethylpyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethylpyridin-1-ium-4-carboxamide
PubChem CID76541174
Molecular FormulaC8H11N2O+
Molecular Weight151.19 g/mol
Exact Mass151.09
IUPAC NameN,N-dimethylpyridin-1-ium-4-carboxamide
SMILESCN(C)C(=O)c1cc[nH+]cc1
InChIInChI=1S/C8H10N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h3-6H,1-2H3/p+1
InChIKeyWYQRNAHSMSMAMV-UHFFFAOYSA-O
XLogP0.20
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethylpyridin-1-ium-4-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

N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
4-(dimethylcarbamoyl)benzenesulfinate
CID 69119645
4-arsoroso-N,N-dimethylbenzamide
CID 3027013
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N,N-dimethyl-4-prop-1-ynylbenzamide
CID 89195364
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-1-ium-4-carboxamide?
The IUPAC name of N,N-dimethylpyridin-1-ium-4-carboxamide (CID 76541174) is N,N-dimethylpyridin-1-ium-4-carboxamide.
What is the SMILES notation for N,N-dimethylpyridin-1-ium-4-carboxamide?
The canonical SMILES for N,N-dimethylpyridin-1-ium-4-carboxamide is CN(C)C(=O)c1cc[nH+]cc1.
What is the InChIKey of N,N-dimethylpyridin-1-ium-4-carboxamide?
The InChIKey is WYQRNAHSMSMAMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2O/c1-10(2)8(11)7-3-5-9-6-4-7/h3-6H,1-2H3/p+1.
What are the key properties of N,N-dimethylpyridin-1-ium-4-carboxamide?
N,N-dimethylpyridin-1-ium-4-carboxamide has a molecular weight of 151.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-1-ium-4-carboxamide is sourced from PubChem (CID 76541174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).