N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide

C16H22N4O3 — CID 2252306

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)NNC2=CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O3/c1-20-9-7-13(8-10-20)18-19-16(22)15(21)17-11-12-3-5-14(23-2)6-4-12/h3-7,18H,8-11H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyYGFSXJZGEBBDSJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.15
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide

N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide (PubChem CID 2252306) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide
PubChem CID2252306
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)NNC2=CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O3/c1-20-9-7-13(8-10-20)18-19-16(22)15(21)17-11-12-3-5-14(23-2)6-4-12/h3-7,18H,8-11H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyYGFSXJZGEBBDSJ-UHFFFAOYSA-N
XLogP0.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
CID 86005665
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
N-[(4-methoxyphenyl)methyl]-N'-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665794
N-[(4-methoxyphenyl)methyl]-N'-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866354
N-[(4-methoxyphenyl)methyl]-N'-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665796
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631305
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide (CID 2252306) is N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)NNC2=CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide?
The InChIKey is YGFSXJZGEBBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-20-9-7-13(8-10-20)18-19-16(22)15(21)17-11-12-3-5-14(23-2)6-4-12/h3-7,18H,8-11H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide?
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide has a molecular weight of 318.38 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 2252306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).