N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide

C21H17N3O5 — CID 51279505

IUPACN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H17N3O5/c25-19(14-8-9-17-18(13-14)28-12-11-27-17)23-24-20(26)16-7-4-10-22-21(16)29-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,25)(H,24,26)
InChIKeyQEYJPNCJCGQKTC-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.72
Rot. Bonds4

About N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide (PubChem CID 51279505) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
PubChem CID51279505
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H17N3O5/c25-19(14-8-9-17-18(13-14)28-12-11-27-17)23-24-20(26)16-7-4-10-22-21(16)29-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,25)(H,24,26)
InChIKeyQEYJPNCJCGQKTC-UHFFFAOYSA-N
XLogP2.72
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.72
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

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 47024237
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 10132580
N'-(4-methylphenyl)-2-phenoxypyridine-3-carbohydrazide
CID 2812497
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[2-(4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2094448
N'-[2-(trifluoromethylsulfanyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51113818
N'-[2-[4-(difluoromethoxy)anilino]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55464322
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 9350571
N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide
CID 2798741
N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24650914

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide (CID 51279505) is N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The InChIKey is QEYJPNCJCGQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-19(14-8-9-17-18(13-14)28-12-11-27-17)23-24-20(26)16-7-4-10-22-21(16)29-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide has a molecular weight of 391.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide is sourced from PubChem (CID 51279505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).