N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide

C20H19FN4O — CID 109163195

IUPACN-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3ccccc3F)nc2)cc1
InChIInChI=1S/C20H19FN4O/c1-25(2)16-10-8-15(9-11-16)23-20(26)14-7-12-19(22-13-14)24-18-6-4-3-5-17(18)21/h3-13H,1-2H3,(H,22,24)(H,23,26)
InChIKeyKHKQQSYBLOSAOU-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.28
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109163195) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
PubChem CID109163195
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3ccccc3F)nc2)cc1
InChIInChI=1S/C20H19FN4O/c1-25(2)16-10-8-15(9-11-16)23-20(26)14-7-12-19(22-13-14)24-18-6-4-3-5-17(18)21/h3-13H,1-2H3,(H,22,24)(H,23,26)
InChIKeyKHKQQSYBLOSAOU-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.28
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

methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-[4-(dimethylamino)phenyl]-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158671
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide (CID 109163195) is N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(Nc3ccccc3F)nc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is KHKQQSYBLOSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-25(2)16-10-8-15(9-11-16)23-20(26)14-7-12-19(22-13-14)24-18-6-4-3-5-17(18)21/h3-13H,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.28, 5 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-(2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).