N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide

C17H15N5O5 — CID 4854734

IUPACN-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCn1nc(C(=O)NNC(=O)C(=O)NCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C17H15N5O5/c1-22-17(26)12-7-3-2-6-11(12)13(21-22)14(23)19-20-16(25)15(24)18-9-10-5-4-8-27-10/h2-8H,9H2,1H3,(H,18,24)(H,19,23)(H,20,25)
InChIKeyGWUSRJJTNZWQGW-UHFFFAOYSA-N
MW369.34 g/mol
LogP-0.40
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide

N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide (PubChem CID 4854734) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
PubChem CID4854734
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCn1nc(C(=O)NNC(=O)C(=O)NCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C17H15N5O5/c1-22-17(26)12-7-3-2-6-11(12)13(21-22)14(23)19-20-16(25)15(24)18-9-10-5-4-8-27-10/h2-8H,9H2,1H3,(H,18,24)(H,19,23)(H,20,25)
InChIKeyGWUSRJJTNZWQGW-UHFFFAOYSA-N
XLogP-0.40
TPSA135.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2483251
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
CID 18100582
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944532
3-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxophthalazine-1-carboxamide
CID 3450101
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide (CID 4854734) is N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide is Cn1nc(C(=O)NNC(=O)C(=O)NCc2ccco2)c2ccccc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is GWUSRJJTNZWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c1-22-17(26)12-7-3-2-6-11(12)13(21-22)14(23)19-20-16(25)15(24)18-9-10-5-4-8-27-10/h2-8H,9H2,1H3,(H,18,24)(H,19,23)(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide?
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 369.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 4854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).