N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide

C16H16F2N4O3 — CID 121028235

IUPACN-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H16F2N4O3/c17-16(18)25-12-3-1-2-11(10-12)19-15(23)13-4-5-14(21-20-13)22-6-8-24-9-7-22/h1-5,10,16H,6-9H2,(H,19,23)
InChIKeyNQLFIVQGJMYLCT-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.17
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 121028235) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID121028235
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H16F2N4O3/c17-16(18)25-12-3-1-2-11(10-12)19-15(23)13-4-5-14(21-20-13)22-6-8-24-9-7-22/h1-5,10,16H,6-9H2,(H,19,23)
InChIKeyNQLFIVQGJMYLCT-UHFFFAOYSA-N
XLogP2.17
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Cyclopropylethyl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine-3-carboxamide
CID 11590143
6-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)pyridazine-3-carboxamide
CID 46225425
N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide
CID 16731522
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731523
6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731524
6-[4-(4-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731525
6-[4-(2,3-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731526
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
N-(3-methylbutyl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
CID 16731685
6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16732584
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 16732748
6-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731527

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide (CID 121028235) is N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is NQLFIVQGJMYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c17-16(18)25-12-3-1-2-11(10-12)19-15(23)13-4-5-14(21-20-13)22-6-8-24-9-7-22/h1-5,10,16H,6-9H2,(H,19,23).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).