N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide

C17H18FN5O3 — CID 70993647

IUPACN'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(N2CC(Oc3ccccc3CF)C2)nn1
InChIInChI=1S/C17H18FN5O3/c1-11(24)19-22-17(25)14-6-7-16(21-20-14)23-9-13(10-23)26-15-5-3-2-4-12(15)8-18/h2-7,13H,8-10H2,1H3,(H,19,24)(H,22,25)
InChIKeyYNBMZSFDWVUSMN-UHFFFAOYSA-N
MW359.36 g/mol
LogP0.99
Rot. Bonds5

About N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide

N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide (PubChem CID 70993647) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide
PubChem CID70993647
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC NameN'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(N2CC(Oc3ccccc3CF)C2)nn1
InChIInChI=1S/C17H18FN5O3/c1-11(24)19-22-17(25)14-6-7-16(21-20-14)23-9-13(10-23)26-15-5-3-2-4-12(15)8-18/h2-7,13H,8-10H2,1H3,(H,19,24)(H,22,25)
InChIKeyYNBMZSFDWVUSMN-UHFFFAOYSA-N
XLogP0.99
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
CID 99857964
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
CID 141336844
N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
CID 99634765
N-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113251

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide?
The IUPAC name of N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide (CID 70993647) is N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide is CC(=O)NNC(=O)c1ccc(N2CC(Oc3ccccc3CF)C2)nn1.
What is the InChIKey of N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide?
The InChIKey is YNBMZSFDWVUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-11(24)19-22-17(25)14-6-7-16(21-20-14)23-9-13(10-23)26-15-5-3-2-4-12(15)8-18/h2-7,13H,8-10H2,1H3,(H,19,24)(H,22,25).
What are the key properties of N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide?
N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide has a molecular weight of 359.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide is sourced from PubChem (CID 70993647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).