3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

C26H28N4O4 — CID 3888053

IUPAC3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H28N4O4/c1-26(2,16-24(32)29-30-25(33)20-9-6-14-27-17-20)15-23(31)28-21-10-12-22(13-11-21)34-18-19-7-4-3-5-8-19/h3-14,17H,15-16,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyAIHBHIQQIAXEHR-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.87
Rot. Bonds9

About 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (PubChem CID 3888053) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
PubChem CID3888053
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H28N4O4/c1-26(2,16-24(32)29-30-25(33)20-9-6-14-27-17-20)15-23(31)28-21-10-12-22(13-11-21)34-18-19-7-4-3-5-8-19/h3-14,17H,15-16,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyAIHBHIQQIAXEHR-UHFFFAOYSA-N
XLogP3.87
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
3,3-dimethyl-5-oxo-N,N-diphenyl-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3968568
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 4236223
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 166495125
N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
CID 113062582

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The IUPAC name of 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (CID 3888053) is 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.
What is the SMILES notation for 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The canonical SMILES for 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is CC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The InChIKey is AIHBHIQQIAXEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-26(2,16-24(32)29-30-25(33)20-9-6-14-27-17-20)15-23(31)28-21-10-12-22(13-11-21)34-18-19-7-4-3-5-8-19/h3-14,17H,15-16,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide has a molecular weight of 460.53 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is sourced from PubChem (CID 3888053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).