5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide

C22H23FN4O — CID 109198981

IUPAC5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-9-17(10-13-20)25-19-11-14-21(24-15-19)22(28)26-18-7-5-16(23)6-8-18/h5-15,25H,3-4H2,1-2H3,(H,26,28)
InChIKeyQMAYJNRTQDFABJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds7

About 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide

5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109198981) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109198981
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-9-17(10-13-20)25-19-11-14-21(24-15-19)22(28)26-18-7-5-16(23)6-8-18/h5-15,25H,3-4H2,1-2H3,(H,26,28)
InChIKeyQMAYJNRTQDFABJ-UHFFFAOYSA-N
XLogP5.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 109198981) is 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is QMAYJNRTQDFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-9-17(10-13-20)25-19-11-14-21(24-15-19)22(28)26-18-7-5-16(23)6-8-18/h5-15,25H,3-4H2,1-2H3,(H,26,28).
What are the key properties of 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide?
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).