N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide

C21H26N4O4 — CID 46698275

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)c1C
InChIInChI=1S/C21H26N4O4/c1-14-5-4-6-18(15(14)2)29-16(3)20(26)23-24-21(27)17-7-8-19(22-13-17)25-9-11-28-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHONDGEPFCYTMOM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.76
Rot. Bonds5

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide (PubChem CID 46698275) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
PubChem CID46698275
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)c1C
InChIInChI=1S/C21H26N4O4/c1-14-5-4-6-18(15(14)2)29-16(3)20(26)23-24-21(27)17-7-8-19(22-13-17)25-9-11-28-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHONDGEPFCYTMOM-UHFFFAOYSA-N
XLogP1.76
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.76
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'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide
CID 55342004
2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991945
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
CID 43046546
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbohydrazide
CID 51951969

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide (CID 46698275) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
The InChIKey is HONDGEPFCYTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14-5-4-6-18(15(14)2)29-16(3)20(26)23-24-21(27)17-7-8-19(22-13-17)25-9-11-28-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide has a molecular weight of 398.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 46698275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).