N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide

C14H13ClFN3O — CID 115497281

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C14H13ClFN3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20)
InChIKeyXFLIRRKMLINZKQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.19
Rot. Bonds3

About N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497281) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497281
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C14H13ClFN3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20)
InChIKeyXFLIRRKMLINZKQ-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide (CID 115497281) is N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is XFLIRRKMLINZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).