N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide

C16H18N4O2 — CID 159831027

IUPACN-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C
InChIInChI=1S/C16H18N4O2/c1-10-14(8-18-19-16(10)22)20-9-12-5-3-4-6-13(12)15(20)7-17-11(2)21/h3-6,8,15H,7,9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyNNLQZSKRIGQKCE-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.28
Rot. Bonds3

About N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide

N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide (PubChem CID 159831027) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide
PubChem CID159831027
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C
InChIInChI=1S/C16H18N4O2/c1-10-14(8-18-19-16(10)22)20-9-12-5-3-4-6-13(12)15(20)7-17-11(2)21/h3-6,8,15H,7,9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyNNLQZSKRIGQKCE-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472351
2,4-Dimethyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 156017982
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
2-[2-(1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72853306
5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 155536492
1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53202048
N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202058
N~4~-(2-Methylbenzyl)-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202097
N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202122
N-[(4-Methylphenyl)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91909556

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The IUPAC name of N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide (CID 159831027) is N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide is CC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C.
What is the InChIKey of N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The InChIKey is NNLQZSKRIGQKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-14(8-18-19-16(10)22)20-9-12-5-3-4-6-13(12)15(20)7-17-11(2)21/h3-6,8,15H,7,9H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide?
N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-1-yl]methyl]acetamide is sourced from PubChem (CID 159831027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).