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

C18H13F3N4O2 — CID 10090785

IUPAC6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-11(2-4-13)10-23-16(26)14-9-15(24-25-17(14)27)12-5-7-22-8-6-12/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyPYQLERYNRATGHI-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.78
Rot. Bonds4

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

6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide (PubChem CID 10090785) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
PubChem CID10090785
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-11(2-4-13)10-23-16(26)14-9-15(24-25-17(14)27)12-5-7-22-8-6-12/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyPYQLERYNRATGHI-UHFFFAOYSA-N
XLogP2.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4472
CID 4472
CID 2811496
CID 2811496
CID 2811840
CID 2811840
CID 2811842
CID 2811842
CID 6881635
CID 6881635
CID 6881769
CID 6881769
CID 9591366
CID 9591366
CID 46495239
CID 46495239
CID 1486035
CID 1486035
CID 1486040
CID 1486040
CID 45272910
CID 45272910
CID 71144092
CID 71144092

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide (CID 10090785) is 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The InChIKey is PYQLERYNRATGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-11(2-4-13)10-23-16(26)14-9-15(24-25-17(14)27)12-5-7-22-8-6-12/h1-9H,10H2,(H,23,26)(H,25,27).
What are the key properties of 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 10090785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).