N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide

C23H22N6O4 — CID 4855798

IUPACN-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H22N6O4/c1-13(30)25-19(11-14-12-24-18-10-6-5-7-15(14)18)21(31)26-27-22(32)20-16-8-3-4-9-17(16)23(33)29(2)28-20/h3-10,12,19,24H,11H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyRLTZEJNNQSBXSY-UHFFFAOYSA-N
MW446.47 g/mol
LogP0.92
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide

N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide (PubChem CID 4855798) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
PubChem CID4855798
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H22N6O4/c1-13(30)25-19(11-14-12-24-18-10-6-5-7-15(14)18)21(31)26-27-22(32)20-16-8-3-4-9-17(16)23(33)29(2)28-20/h3-10,12,19,24H,11H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyRLTZEJNNQSBXSY-UHFFFAOYSA-N
XLogP0.92
TPSA137.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 4808607
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide (CID 4855798) is N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide?
The InChIKey is RLTZEJNNQSBXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13(30)25-19(11-14-12-24-18-10-6-5-7-15(14)18)21(31)26-27-22(32)20-16-8-3-4-9-17(16)23(33)29(2)28-20/h3-10,12,19,24H,11H2,1-2H3,(H,25,30)(H,26,31)(H,27,32).
What are the key properties of N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide?
N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide has a molecular weight of 446.47 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 4855798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).