6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide

C17H19FN4O2 — CID 118903441

IUPAC6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CC3(F)CNC3)cc2)nn1
InChIInChI=1S/C17H19FN4O2/c1-2-24-15-8-7-14(21-22-15)16(23)20-13-5-3-12(4-6-13)9-17(18)10-19-11-17/h3-8,19H,2,9-11H2,1H3,(H,20,23)
InChIKeyDHAKOZUWDNGPMA-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.98
Rot. Bonds6

About 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide

6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide (PubChem CID 118903441) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide
PubChem CID118903441
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CC3(F)CNC3)cc2)nn1
InChIInChI=1S/C17H19FN4O2/c1-2-24-15-8-7-14(21-22-15)16(23)20-13-5-3-12(4-6-13)9-17(18)10-19-11-17/h3-8,19H,2,9-11H2,1H3,(H,20,23)
InChIKeyDHAKOZUWDNGPMA-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxy-pyridazine-3-carboxamide
CID 118903222
6-methoxy-N-(4-(trifluoromethyl)phenyl)pyridazine-3-carboxamide
CID 56724386
6-methoxy-N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]pyridazine-3-carboxamide
CID 71805073
6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 52992915
(6-methoxypyridazin-3-yl)(6-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 56724388
6-methoxy-N-(2-methoxyphenethyl)pyridazine-3-carboxamide
CID 52417431
N-(4-fluorobenzyl)-6-methoxypyridazine-3-carboxamide
CID 52417438
N-benzyl-6-ethoxypyridazine-3-carboxamide
CID 56764581
6-ethoxy-N-(2-methoxybenzyl)pyridazine-3-carboxamide
CID 71784580
6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 75427440
N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxypyridazine-3-carboxamide
CID 128202867
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxypyridazine-3-carboxamide
CID 164634399

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide (CID 118903441) is 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(CC3(F)CNC3)cc2)nn1.
What is the InChIKey of 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is DHAKOZUWDNGPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-24-15-8-7-14(21-22-15)16(23)20-13-5-3-12(4-6-13)9-17(18)10-19-11-17/h3-8,19H,2,9-11H2,1H3,(H,20,23).
What are the key properties of 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide?
6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 118903441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).