N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide

C21H21FN4O — CID 109189803

IUPACN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H21FN4O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-24-20)23-13-15-3-5-16(22)6-4-15/h3-12,14,23H,13H2,1-2H3,(H,25,27)
InChIKeyDDYCSZCTILNMJN-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109189803) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109189803
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H21FN4O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-24-20)23-13-15-3-5-16(22)6-4-15/h3-12,14,23H,13H2,1-2H3,(H,25,27)
InChIKeyDDYCSZCTILNMJN-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

5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 12640237
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109189803) is N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is DDYCSZCTILNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-24-20)23-13-15-3-5-16(22)6-4-15/h3-12,14,23H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-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]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109189803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).