N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide

C20H21N3O2 — CID 8758998

IUPACN'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(21-22-20(25)18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1-11H,12-15H2,(H,21,24)(H,22,25)
InChIKeyIDGOXBZZRXVYDC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.24
Rot. Bonds4

About N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide

N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide (PubChem CID 8758998) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
PubChem CID8758998
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(21-22-20(25)18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1-11H,12-15H2,(H,21,24)(H,22,25)
InChIKeyIDGOXBZZRXVYDC-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]acetamide
CID 8754275
N-(2-methylbutan-2-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754375
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
N-(cyclopropylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759239
N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2121907
dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 8759020
N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
CID 78787526
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
CID 62916316
N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
CID 65449993

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide (CID 8758998) is N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide is O=C(CN1CC=C(c2ccccc2)CC1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide?
The InChIKey is IDGOXBZZRXVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(21-22-20(25)18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1-11H,12-15H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide?
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide has a molecular weight of 335.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 8758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).