N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide

C17H16N4O4 — CID 5219821

IUPACN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)cc1
InChIInChI=1S/C17H16N4O4/c1-25-13-6-4-12(5-7-13)21-15(22)9-14(17(21)24)19-20-16(23)11-3-2-8-18-10-11/h2-8,10,14,19H,9H2,1H3,(H,20,23)
InChIKeyDDRXMSVRXCHRHN-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.66
Rot. Bonds5

About N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (PubChem CID 5219821) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
PubChem CID5219821
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)cc1
InChIInChI=1S/C17H16N4O4/c1-25-13-6-4-12(5-7-13)21-15(22)9-14(17(21)24)19-20-16(23)11-3-2-8-18-10-11/h2-8,10,14,19H,9H2,1H3,(H,20,23)
InChIKeyDDRXMSVRXCHRHN-UHFFFAOYSA-N
XLogP0.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (CID 5219821) is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is COc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The InChIKey is DDRXMSVRXCHRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-25-13-6-4-12(5-7-13)21-15(22)9-14(17(21)24)19-20-16(23)11-3-2-8-18-10-11/h2-8,10,14,19H,9H2,1H3,(H,20,23).
What are the key properties of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide has a molecular weight of 340.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 5219821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).