4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide

C22H19N3O2 — CID 20765693

IUPAC4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-12-20(26)24-25-21(14)16-6-8-17(9-7-16)22(27)23-19-11-10-15-4-2-3-5-18(15)13-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyDPSDKLSCKGWRHI-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.95
Rot. Bonds3

About 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide (PubChem CID 20765693) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
PubChem CID20765693
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-12-20(26)24-25-21(14)16-6-8-17(9-7-16)22(27)23-19-11-10-15-4-2-3-5-18(15)13-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyDPSDKLSCKGWRHI-UHFFFAOYSA-N
XLogP3.95
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
CID 20765694
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-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 142082466
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
phenyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-4-oxobutanoate
CID 45034728

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide (CID 20765693) is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide is CC1CC(=O)NN=C1c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide?
The InChIKey is DPSDKLSCKGWRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-12-20(26)24-25-21(14)16-6-8-17(9-7-16)22(27)23-19-11-10-15-4-2-3-5-18(15)13-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide?
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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-naphthalen-2-ylbenzamide is sourced from PubChem (CID 20765693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).