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

C18H13F3N4O3 — CID 135543703

IUPAC6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)11-3-1-10(2-4-11)8-23-16(27)12-7-14(24-25-17(12)28)13-9-22-6-5-15(13)26/h1-7,9H,8H2,(H,22,26)(H,23,27)(H,25,28)
InChIKeyFFYLBSGPRTYZMM-UHFFFAOYSA-N
MW390.32 g/mol
LogP2.07
Rot. Bonds4

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

6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide (PubChem CID 135543703) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
PubChem CID135543703
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)11-3-1-10(2-4-11)8-23-16(27)12-7-14(24-25-17(12)28)13-9-22-6-5-15(13)26/h1-7,9H,8H2,(H,22,26)(H,23,27)(H,25,28)
InChIKeyFFYLBSGPRTYZMM-UHFFFAOYSA-N
XLogP2.07
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
CID 135401020
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
3-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62881492
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide (CID 135543703) is 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
The InChIKey is FFYLBSGPRTYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)11-3-1-10(2-4-11)8-23-16(27)12-7-14(24-25-17(12)28)13-9-22-6-5-15(13)26/h1-7,9H,8H2,(H,22,26)(H,23,27)(H,25,28).
What are the key properties of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide?
6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 135543703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).