N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H17F3N4O3 — CID 5134283

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)=NN1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-3-13(23-5-7-26-8-6-23)12(9-10)20-15(25)11-2-4-14(24)22-21-11/h1,3,9H,2,4-8H2,(H,20,25)(H,22,24)
InChIKeyYEQVFIVIIVRBCJ-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.75
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 5134283) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID5134283
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)=NN1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-3-13(23-5-7-26-8-6-23)12(9-10)20-15(25)11-2-4-14(24)22-21-11/h1,3,9H,2,4-8H2,(H,20,25)(H,22,24)
InChIKeyYEQVFIVIIVRBCJ-UHFFFAOYSA-N
XLogP1.75
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886930
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 851473

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 5134283) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)=NN1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YEQVFIVIIVRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-3-13(23-5-7-26-8-6-23)12(9-10)20-15(25)11-2-4-14(24)22-21-11/h1,3,9H,2,4-8H2,(H,20,25)(H,22,24).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 5134283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).