4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

C21H23N3O2 — CID 142082469

IUPAC4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-15-5-10-18(13(2)11-15)21(26)22-17-8-6-16(7-9-17)20-14(3)12-19(25)23-24-20/h5-11,14H,4,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIPFWLPJRPSKGET-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds4

About 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 142082469) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID142082469
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-15-5-10-18(13(2)11-15)21(26)22-17-8-6-16(7-9-17)20-14(3)12-19(25)23-24-20/h5-11,14H,4,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIPFWLPJRPSKGET-UHFFFAOYSA-N
XLogP3.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740392
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70375146
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 171678971

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 142082469) is 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c(C)c1.
What is the InChIKey of 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is IPFWLPJRPSKGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-15-5-10-18(13(2)11-15)21(26)22-17-8-6-16(7-9-17)20-14(3)12-19(25)23-24-20/h5-11,14H,4,12H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 142082469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).