N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H11F5N4O3 — CID 71144369

IUPACN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H11F5N4O3/c19-10-2-1-7-24-16(10)15(25-17(29)12-4-6-14(28)27-26-12)9-3-5-13(11(20)8-9)30-18(21,22)23/h1-8,15H,(H,25,29)(H,27,28)
InChIKeyVNZTZQLITDYFAL-UHFFFAOYSA-N
MW426.30 g/mol
LogP2.86
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71144369) has the molecular formula C18H11F5N4O3 and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71144369
Molecular FormulaC18H11F5N4O3
Molecular Weight426.30 g/mol
Exact Mass426.08
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H11F5N4O3/c19-10-2-1-7-24-16(10)15(25-17(29)12-4-6-14(28)27-26-12)9-3-5-13(11(20)8-9)30-18(21,22)23/h1-8,15H,(H,25,29)(H,27,28)
InChIKeyVNZTZQLITDYFAL-UHFFFAOYSA-N
XLogP2.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71144369) is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VNZTZQLITDYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O3/c19-10-2-1-7-24-16(10)15(25-17(29)12-4-6-14(28)27-26-12)9-3-5-13(11(20)8-9)30-18(21,22)23/h1-8,15H,(H,25,29)(H,27,28).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 426.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71144369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).