N,N-dimethylpyridin-1-ium-1-carboxamide chloride

C8H11ClN2O — CID 14274036

IUPACN,N-dimethylpyridin-1-ium-1-carboxamide chloride
SMILESCN(C)C(=O)[n+]1ccccc1.[Cl-]
InChIInChI=1S/C8H11N2O.ClH/c1-9(2)8(11)10-6-4-3-5-7-10;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyNNAXTSGZNXNONS-UHFFFAOYSA-M
MW186.64 g/mol
LogP-2.49
Rot. Bonds

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

N,N-dimethylpyridin-1-ium-1-carboxamide chloride (PubChem CID 14274036) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is N,N-dimethylpyridin-1-ium-1-carboxamide chloride.

Molecular Properties

Compound NameN,N-dimethylpyridin-1-ium-1-carboxamide chloride
PubChem CID14274036
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC NameN,N-dimethylpyridin-1-ium-1-carboxamide chloride
SMILESCN(C)C(=O)[n+]1ccccc1.[Cl-]
InChIInChI=1S/C8H11N2O.ClH/c1-9(2)8(11)10-6-4-3-5-7-10;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyNNAXTSGZNXNONS-UHFFFAOYSA-M
XLogP-2.49
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Dodecylpyridinium chloride
CID 7717
2-Dimethylaminopyridine
CID 21885
1-Ethylpyridinium iodide
CID 12038941
Ethylpyridinium bromide
CID 15927
Pyridinium, 1-methyl-, iodide (1:1)
CID 13596
1-Hexylpyridinium iodide
CID 21917397
1-Butylpyridinium bromide
CID 2734238
Urea, (3-pyridinylmethyl)-
CID 118929
Butylpyridinium chloride
CID 2734171
N-Methylpyridinium
CID 13597
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-1-ium-1-carboxamide chloride?
The IUPAC name of N,N-dimethylpyridin-1-ium-1-carboxamide chloride (CID 14274036) is N,N-dimethylpyridin-1-ium-1-carboxamide chloride.
What is the SMILES notation for N,N-dimethylpyridin-1-ium-1-carboxamide chloride?
The canonical SMILES for N,N-dimethylpyridin-1-ium-1-carboxamide chloride is CN(C)C(=O)[n+]1ccccc1.[Cl-].
What is the InChIKey of N,N-dimethylpyridin-1-ium-1-carboxamide chloride?
The InChIKey is NNAXTSGZNXNONS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N2O.ClH/c1-9(2)8(11)10-6-4-3-5-7-10;/h3-7H,1-2H3;1H/q+1;/p-1.
What are the key properties of N,N-dimethylpyridin-1-ium-1-carboxamide chloride?
N,N-dimethylpyridin-1-ium-1-carboxamide chloride has a molecular weight of 186.64 g/mol, XLogP of -2.49, 0 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-1-carboxamide chloride is sourced from PubChem (CID 14274036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).