N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C17H14FN5O — CID 109120764

IUPACN-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C17H14FN5O/c18-12-4-3-6-13(10-12)21-17(24)15-7-8-16(23-22-15)20-11-14-5-1-2-9-19-14/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyQNJORNGMCOUNNK-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.88
Rot. Bonds5

About N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120764) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120764
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C17H14FN5O/c18-12-4-3-6-13(10-12)21-17(24)15-7-8-16(23-22-15)20-11-14-5-1-2-9-19-14/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyQNJORNGMCOUNNK-UHFFFAOYSA-N
XLogP2.88
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N-(3-fluorophenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060896
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120764) is N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is QNJORNGMCOUNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-12-4-3-6-13(10-12)21-17(24)15-7-8-16(23-22-15)20-11-14-5-1-2-9-19-14/h1-10H,11H2,(H,20,23)(H,21,24).
What are the key properties of N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).