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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Related Compounds

6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
Methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
CID 2764383
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)pyridine-3-carboxamide
CID 9657252
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000
1-isonicotinoyl-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816856
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(4-methoxyphenyl)-4-oxo-4-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]butanamide
CID 6889842
1-(4-Methoxyphenyl)-3-{4-[4-(pyridin-3-ylcarbonyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2981926
N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-[(pyridin-4-ylcarbonyl)amino]hexahydropyrimidine-4-carboxamide
CID 3702169
N-(4-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24816839
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 31568455

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).