N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

C19H18N4O5 — CID 43002273

IUPACN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccnc1
InChIInChI=1S/C19H18N4O5/c24-17-8-13(19(26)22-21-18(25)12-2-1-5-20-10-12)11-23(17)14-3-4-15-16(9-14)28-7-6-27-15/h1-5,9-10,13H,6-8,11H2,(H,21,25)(H,22,26)
InChIKeyBBVQETXGZVWLER-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.67
Rot. Bonds3

About N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (PubChem CID 43002273) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
PubChem CID43002273
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccnc1
InChIInChI=1S/C19H18N4O5/c24-17-8-13(19(26)22-21-18(25)12-2-1-5-20-10-12)11-23(17)14-3-4-15-16(9-14)28-7-6-27-15/h1-5,9-10,13H,6-8,11H2,(H,21,25)(H,22,26)
InChIKeyBBVQETXGZVWLER-UHFFFAOYSA-N
XLogP0.67
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.67
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

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 42908925
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
CID 4790872
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9405761
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25353564
1-(1,3-benzodioxol-5-yl)-N'-(4-tert-butylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 47024185
N'-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 41101538
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 7977911
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-ethylthiourea
CID 7977385
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46448242

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (CID 43002273) is N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccnc1.
What is the InChIKey of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is BBVQETXGZVWLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-17-8-13(19(26)22-21-18(25)12-2-1-5-20-10-12)11-23(17)14-3-4-15-16(9-14)28-7-6-27-15/h1-5,9-10,13H,6-8,11H2,(H,21,25)(H,22,26).
What are the key properties of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 382.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 43002273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).