N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide

C18H14N4O4 — CID 10132580

IUPACN'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc[n+]([O-])c1
InChIInChI=1S/C18H14N4O4/c23-16(13-6-5-11-22(25)12-13)20-21-17(24)15-9-4-10-19-18(15)26-14-7-2-1-3-8-14/h1-12H,(H,20,23)(H,21,24)
InChIKeyPGTHVZBDROAXGH-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.58
Rot. Bonds4

About N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide

N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide (PubChem CID 10132580) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
PubChem CID10132580
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc[n+]([O-])c1
InChIInChI=1S/C18H14N4O4/c23-16(13-6-5-11-22(25)12-13)20-21-17(24)15-9-4-10-19-18(15)26-14-7-2-1-3-8-14/h1-12H,(H,20,23)(H,21,24)
InChIKeyPGTHVZBDROAXGH-UHFFFAOYSA-N
XLogP1.58
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 51279505
N'-(4-methylphenyl)-2-phenoxypyridine-3-carbohydrazide
CID 2812497
N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43036246
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide
CID 95931565
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227

Frequently Asked Questions

What is the IUPAC name of N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide (CID 10132580) is N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc[n+]([O-])c1.
What is the InChIKey of N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
The InChIKey is PGTHVZBDROAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-16(13-6-5-11-22(25)12-13)20-21-17(24)15-9-4-10-19-18(15)26-14-7-2-1-3-8-14/h1-12H,(H,20,23)(H,21,24).
What are the key properties of N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide?
N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide has a molecular weight of 350.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide is sourced from PubChem (CID 10132580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).