6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide

C18H13F3N4O3 — CID 59017983

IUPAC6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)28-13-3-1-2-11(8-13)10-23-16(26)14-9-15(24-25-17(14)27)12-4-6-22-7-5-12/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyDUVOBFBUDGGVIB-UHFFFAOYSA-N
MW390.32 g/mol
LogP2.66
Rot. Bonds5

About 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide

6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide (PubChem CID 59017983) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
PubChem CID59017983
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)28-13-3-1-2-11(8-13)10-23-16(26)14-9-15(24-25-17(14)27)12-4-6-22-7-5-12/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyDUVOBFBUDGGVIB-UHFFFAOYSA-N
XLogP2.66
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
CID 86995360
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
CID 135401020

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide (CID 59017983) is 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide is O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The InChIKey is DUVOBFBUDGGVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)28-13-3-1-2-11(8-13)10-23-16(26)14-9-15(24-25-17(14)27)12-4-6-22-7-5-12/h1-9H,10H2,(H,23,26)(H,25,27).
What are the key properties of 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide?
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59017983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).