N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide

C17H21N5O4 — CID 51552973

IUPACN-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C
InChIInChI=1S/C17H21N5O4/c1-9(2)13(18-10(3)23)15(24)19-20-16(25)14-11-7-5-6-8-12(11)17(26)22(4)21-14/h5-9,13H,1-4H3,(H,18,23)(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyDVPOIFCVWMPIDM-CYBMUJFWSA-N
MW359.39 g/mol
LogP-0.14
Rot. Bonds4

About N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide

N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide (PubChem CID 51552973) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
PubChem CID51552973
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C
InChIInChI=1S/C17H21N5O4/c1-9(2)13(18-10(3)23)15(24)19-20-16(25)14-11-7-5-6-8-12(11)17(26)22(4)21-14/h5-9,13H,1-4H3,(H,18,23)(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyDVPOIFCVWMPIDM-CYBMUJFWSA-N
XLogP-0.14
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
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CID 4855798
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
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3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
N-[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46652011
N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
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3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide (CID 51552973) is N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide is CC(=O)N[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C.
What is the InChIKey of N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide?
The InChIKey is DVPOIFCVWMPIDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-9(2)13(18-10(3)23)15(24)19-20-16(25)14-11-7-5-6-8-12(11)17(26)22(4)21-14/h5-9,13H,1-4H3,(H,18,23)(H,19,24)(H,20,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide?
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide has a molecular weight of 359.39 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 51552973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).