1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide

C21H19N5O3 — CID 40717499

IUPAC1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
SMILESCn1nc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-25-12-16(14-8-5-6-10-18(14)25)20(28)23-22-19(27)11-17-13-7-3-4-9-15(13)21(29)26(2)24-17/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyVTDKZXLCGOZAGL-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.43
Rot. Bonds3

About 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide

1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide (PubChem CID 40717499) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
PubChem CID40717499
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
SMILESCn1nc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-25-12-16(14-8-5-6-10-18(14)25)20(28)23-22-19(27)11-17-13-7-3-4-9-15(13)21(29)26(2)24-17/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyVTDKZXLCGOZAGL-UHFFFAOYSA-N
XLogP1.43
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40716285
1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
CID 24588173
1-tert-butyl-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea
CID 9425923
N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55408908
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide (CID 40717499) is 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide is Cn1nc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide?
The InChIKey is VTDKZXLCGOZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25-12-16(14-8-5-6-10-18(14)25)20(28)23-22-19(27)11-17-13-7-3-4-9-15(13)21(29)26(2)24-17/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide?
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide has a molecular weight of 389.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide is sourced from PubChem (CID 40717499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).