N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide

C16H18N4O3 — CID 118903222

IUPACN-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC3CNC3)cc2)nn1
InChIInChI=1S/C16H18N4O3/c1-2-22-15-8-7-14(19-20-15)16(21)18-11-3-5-12(6-4-11)23-13-9-17-10-13/h3-8,13,17H,2,9-10H2,1H3,(H,18,21)
InChIKeyHEPKICQZPVIFRC-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.48
Rot. Bonds6

About N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide (PubChem CID 118903222) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide
PubChem CID118903222
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC3CNC3)cc2)nn1
InChIInChI=1S/C16H18N4O3/c1-2-22-15-8-7-14(19-20-15)16(21)18-11-3-5-12(6-4-11)23-13-9-17-10-13/h3-8,13,17H,2,9-10H2,1H3,(H,18,21)
InChIKeyHEPKICQZPVIFRC-UHFFFAOYSA-N
XLogP1.48
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 5297390
US10023559, Example 17
CID 118903343
US10023559, Example 67
CID 118903441
US10023559, Example 24
CID 118903760
US10023559, Example 12
CID 118903530
US10023559, Example 11
CID 118903664
5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide
CID 71993661
(6-Methoxypyridazin-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 52417437
6-methoxy-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 52417428
N-(2-(4-fluorophenoxy)ethyl)-6-methoxypyridazine-3-carboxamide
CID 56724389
6-ethoxy-N-(2-methoxybenzyl)pyridazine-3-carboxamide
CID 71784580
(2S)-N-(4-methoxyphenyl)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 124286780

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide (CID 118903222) is N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(OC3CNC3)cc2)nn1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide?
The InChIKey is HEPKICQZPVIFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-22-15-8-7-14(19-20-15)16(21)18-11-3-5-12(6-4-11)23-13-9-17-10-13/h3-8,13,17H,2,9-10H2,1H3,(H,18,21).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 118903222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).