N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

C17H19FN4O2 — CID 109114812

IUPACN-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C17H19FN4O2/c18-14-6-2-1-4-12(14)10-20-17(23)15-7-8-16(22-21-15)19-11-13-5-3-9-24-13/h1-2,4,6-8,13H,3,5,9-11H2,(H,19,22)(H,20,23)
InChIKeyGVUHLJGOYBFRRU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.14
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109114812) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109114812
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C17H19FN4O2/c18-14-6-2-1-4-12(14)10-20-17(23)15-7-8-16(22-21-15)19-11-13-5-3-9-24-13/h1-2,4,6-8,13H,3,5,9-11H2,(H,19,22)(H,20,23)
InChIKeyGVUHLJGOYBFRRU-UHFFFAOYSA-N
XLogP2.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206922
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109114812) is N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is O=C(NCc1ccccc1F)c1ccc(NCC2CCCO2)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is GVUHLJGOYBFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-6-2-1-4-12(14)10-20-17(23)15-7-8-16(22-21-15)19-11-13-5-3-9-24-13/h1-2,4,6-8,13H,3,5,9-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).