6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C16H17FN4O2 — CID 109115068

IUPAC6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C16H17FN4O2/c17-11-3-5-12(6-4-11)19-15-8-7-14(20-21-15)16(22)18-10-13-2-1-9-23-13/h3-8,13H,1-2,9-10H2,(H,18,22)(H,19,21)
InChIKeyFQTANKABMMITDU-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.27
Rot. Bonds5

About 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109115068) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109115068
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C16H17FN4O2/c17-11-3-5-12(6-4-11)19-15-8-7-14(20-21-15)16(22)18-10-13-2-1-9-23-13/h3-8,13H,1-2,9-10H2,(H,18,22)(H,19,21)
InChIKeyFQTANKABMMITDU-UHFFFAOYSA-N
XLogP2.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 95985471
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 109115068) is 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is FQTANKABMMITDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-3-5-12(6-4-11)19-15-8-7-14(20-21-15)16(22)18-10-13-2-1-9-23-13/h3-8,13H,1-2,9-10H2,(H,18,22)(H,19,21).
What are the key properties of 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).