4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide

C20H19FN3O+ — CID 66911230

IUPAC4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide
SMILESCN(C)c1cc[n+](C(=O)N(c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN3O/c1-22(2)17-11-13-23(14-12-17)20(25)24(18-8-4-3-5-9-18)19-10-6-7-16(21)15-19/h3-15H,1-2H3/q+1
InChIKeyPIKZQJXSNDVQNN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.99
Rot. Bonds3

About 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide

4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide (PubChem CID 66911230) has the molecular formula C20H19FN3O+ and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide
PubChem CID66911230
Molecular FormulaC20H19FN3O+
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide
SMILESCN(C)c1cc[n+](C(=O)N(c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN3O/c1-22(2)17-11-13-23(14-12-17)20(25)24(18-8-4-3-5-9-18)19-10-6-7-16(21)15-19/h3-15H,1-2H3/q+1
InChIKeyPIKZQJXSNDVQNN-UHFFFAOYSA-N
XLogP3.99
TPSA27.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.99
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'}

Analyze 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide (CID 66911230) is 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide is CN(C)c1cc[n+](C(=O)N(c2ccccc2)c2cccc(F)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide?
The InChIKey is PIKZQJXSNDVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN3O/c1-22(2)17-11-13-23(14-12-17)20(25)24(18-8-4-3-5-9-18)19-10-6-7-16(21)15-19/h3-15H,1-2H3/q+1.
What are the key properties of 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide?
4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(3-fluorophenyl)-N-phenylpyridin-1-ium-1-carboxamide is sourced from PubChem (CID 66911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).