2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

C22H21N3O3 — CID 121058915

IUPAC2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCCn2nc(C)ccc2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-7-10-17(11-8-15)21(27)18-5-3-4-6-19(18)22(28)23-13-14-25-20(26)12-9-16(2)24-25/h3-12H,13-14H2,1-2H3,(H,23,28)
InChIKeyMQCINDFVPLYGTH-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.52
Rot. Bonds6

About 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (PubChem CID 121058915) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
PubChem CID121058915
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCCn2nc(C)ccc2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-7-10-17(11-8-15)21(27)18-5-3-4-6-19(18)22(28)23-13-14-25-20(26)12-9-16(2)24-25/h3-12H,13-14H2,1-2H3,(H,23,28)
InChIKeyMQCINDFVPLYGTH-UHFFFAOYSA-N
XLogP2.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
2-(4-methylbenzoyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280397
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-nitrobenzamide
CID 121058935
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 90516055
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058895
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121059074
2-chloro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-5-nitrobenzamide
CID 121058927

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (CID 121058915) is 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCCn2nc(C)ccc2=O)cc1.
What is the InChIKey of 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The InChIKey is MQCINDFVPLYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-7-10-17(11-8-15)21(27)18-5-3-4-6-19(18)22(28)23-13-14-25-20(26)12-9-16(2)24-25/h3-12H,13-14H2,1-2H3,(H,23,28).
What are the key properties of 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121058915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).