4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide

C17H19FN4O2 — CID 133314297

IUPAC4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNc2ccc(-c3ccc(F)cc3)nn2)CCOCC1
InChIInChI=1S/C17H19FN4O2/c18-13-3-1-12(2-4-13)14-5-6-15(22-21-14)20-11-17(16(19)23)7-9-24-10-8-17/h1-6H,7-11H2,(H2,19,23)(H,20,22)
InChIKeyCJTOAQNNCZNVAK-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.98
Rot. Bonds5

About 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide

4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide (PubChem CID 133314297) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide
PubChem CID133314297
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNc2ccc(-c3ccc(F)cc3)nn2)CCOCC1
InChIInChI=1S/C17H19FN4O2/c18-13-3-1-12(2-4-13)14-5-6-15(22-21-14)20-11-17(16(19)23)7-9-24-10-8-17/h1-6H,7-11H2,(H2,19,23)(H,20,22)
InChIKeyCJTOAQNNCZNVAK-UHFFFAOYSA-N
XLogP1.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide (CID 133314297) is 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide is NC(=O)C1(CNc2ccc(-c3ccc(F)cc3)nn2)CCOCC1.
What is the InChIKey of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide?
The InChIKey is CJTOAQNNCZNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-3-1-12(2-4-13)14-5-6-15(22-21-14)20-11-17(16(19)23)7-9-24-10-8-17/h1-6H,7-11H2,(H2,19,23)(H,20,22).
What are the key properties of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide?
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133314297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).