N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C21H21FN4O — CID 109156661

IUPACN-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C21H21FN4O/c1-26(2)19-10-8-18(9-11-19)25-21(27)16-5-12-20(24-14-16)23-13-15-3-6-17(22)7-4-15/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyIHIFHLRIZLLDEH-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109156661) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109156661
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C21H21FN4O/c1-26(2)19-10-8-18(9-11-19)25-21(27)16-5-12-20(24-14-16)23-13-15-3-6-17(22)7-4-15/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyIHIFHLRIZLLDEH-UHFFFAOYSA-N
XLogP4.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.15
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-(dimethylamino)phenyl]-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158671
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109156661) is N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is IHIFHLRIZLLDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26(2)19-10-8-18(9-11-19)25-21(27)16-5-12-20(24-14-16)23-13-15-3-6-17(22)7-4-15/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109156661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).