6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide

C22H23FN4O — CID 109163316

IUPAC6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-10-18(11-13-20)25-21-14-5-16(15-24-21)22(28)26-19-8-6-17(23)7-9-19/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyNYYXZOZATSFWKE-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds7

About 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109163316) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID109163316
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-10-18(11-13-20)25-21-14-5-16(15-24-21)22(28)26-19-8-6-17(23)7-9-19/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyNYYXZOZATSFWKE-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-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 109163316) is 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is NYYXZOZATSFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-27(4-2)20-12-10-18(11-13-20)25-21-14-5-16(15-24-21)22(28)26-19-8-6-17(23)7-9-19/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-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 6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).