N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide

C16H18FN3O — CID 63973943

IUPACN-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(F)nc2)cc1
InChIInChI=1S/C16H18FN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeySSWMBMVLXGOOAW-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.32
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide (PubChem CID 63973943) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
PubChem CID63973943
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(F)nc2)cc1
InChIInChI=1S/C16H18FN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeySSWMBMVLXGOOAW-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide (CID 63973943) is N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(F)nc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is SSWMBMVLXGOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63973943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).