N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide

C19H22N4O4 — CID 53121681

IUPACN-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(=O)N2c3ccccc3CC2C)ccc1=O
InChIInChI=1S/C19H22N4O4/c1-13-11-14-5-3-4-6-16(14)23(13)19(26)15-7-8-18(25)22(21-15)12-17(24)20-9-10-27-2/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyNBQGPJQPHDGFKT-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.60
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 53121681) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID53121681
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(=O)N2c3ccccc3CC2C)ccc1=O
InChIInChI=1S/C19H22N4O4/c1-13-11-14-5-3-4-6-16(14)23(13)19(26)15-7-8-18(25)22(21-15)12-17(24)20-9-10-27-2/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyNBQGPJQPHDGFKT-UHFFFAOYSA-N
XLogP0.60
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089811
N-(3-methylbutyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089810
N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089809
N-(3,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089866
N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089844
N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089852
2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 95089771
N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
CID 53121723
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075
N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089816
N-(4-ethylphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089781
2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53121697

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide (CID 53121681) is N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide is COCCNC(=O)Cn1nc(C(=O)N2c3ccccc3CC2C)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is NBQGPJQPHDGFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-11-14-5-3-4-6-16(14)23(13)19(26)15-7-8-18(25)22(21-15)12-17(24)20-9-10-27-2/h3-8,13H,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53121681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).