3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide

C21H20N6O3 — CID 22887386

IUPAC3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
SMILESO=C(CC(=O)Nc1ccncc1)NNc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H20N6O3/c28-19(23-17-10-12-22-13-11-17)14-20(29)27-26-18-8-6-16(7-9-18)25-21(30)24-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,27,29)(H,22,23,28)(H2,24,25,30)
InChIKeyVEULFUMXWFYPLB-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.20
Rot. Bonds7

About 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide

3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide (PubChem CID 22887386) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
PubChem CID22887386
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
SMILESO=C(CC(=O)Nc1ccncc1)NNc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H20N6O3/c28-19(23-17-10-12-22-13-11-17)14-20(29)27-26-18-8-6-16(7-9-18)25-21(30)24-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,27,29)(H,22,23,28)(H2,24,25,30)
InChIKeyVEULFUMXWFYPLB-UHFFFAOYSA-N
XLogP3.20
TPSA124.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
CID 88714203
N'-iodo-N-pyridin-4-ylpropanediamide
CID 122468435
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
1-anilino-3-pyridin-3-ylurea
CID 47127655
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
2-(2-aminophenyl)-N'-pyridin-4-ylacetohydrazide
CID 165347053
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide (CID 22887386) is 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide is O=C(CC(=O)Nc1ccncc1)NNc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide?
The InChIKey is VEULFUMXWFYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-19(23-17-10-12-22-13-11-17)14-20(29)27-26-18-8-6-16(7-9-18)25-21(30)24-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,27,29)(H,22,23,28)(H2,24,25,30).
What are the key properties of 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide?
3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide has a molecular weight of 404.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 22887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).