N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide

C23H25FN4O — CID 109170697

IUPACN-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-28(4-2)21-11-9-20(10-12-21)27-23(29)18-13-14-25-22(15-18)26-16-17-5-7-19(24)8-6-17/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyQDVKJPRIQNJRPE-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.93
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide

N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170697) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170697
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-28(4-2)21-11-9-20(10-12-21)27-23(29)18-13-14-25-22(15-18)26-16-17-5-7-19(24)8-6-17/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyQDVKJPRIQNJRPE-UHFFFAOYSA-N
XLogP4.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.93
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-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 109170697) is N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is QDVKJPRIQNJRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-28(4-2)21-11-9-20(10-12-21)27-23(29)18-13-14-25-22(15-18)26-16-17-5-7-19(24)8-6-17/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide?
N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).