4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide

C17H16N4O2 — CID 20765694

IUPAC4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H16N4O2/c1-11-9-15(22)20-21-16(11)12-4-6-13(7-5-12)17(23)19-14-3-2-8-18-10-14/h2-8,10-11H,9H2,1H3,(H,19,23)(H,20,22)
InChIKeyFWRMWMKPGZDXDZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide (PubChem CID 20765694) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
PubChem CID20765694
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H16N4O2/c1-11-9-15(22)20-21-16(11)12-4-6-13(7-5-12)17(23)19-14-3-2-8-18-10-14/h2-8,10-11H,9H2,1H3,(H,19,23)(H,20,22)
InChIKeyFWRMWMKPGZDXDZ-UHFFFAOYSA-N
XLogP2.19
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693
N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 21465237
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
CID 21249165
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 171678971
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 3021729

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide (CID 20765694) is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide is CC1CC(=O)NN=C1c1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is FWRMWMKPGZDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-9-15(22)20-21-16(11)12-4-6-13(7-5-12)17(23)19-14-3-2-8-18-10-14/h2-8,10-11H,9H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide?
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 308.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 20765694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).