2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide

C18H24N4O — CID 119846342

IUPAC2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)Cc2ccc(N)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-3-22(4-2)17-10-7-15(12-20-17)13-21-18(23)11-14-5-8-16(19)9-6-14/h5-10,12H,3-4,11,13,19H2,1-2H3,(H,21,23)
InChIKeyZUOKMOAWKUCGDB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide

2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide (PubChem CID 119846342) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
PubChem CID119846342
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)Cc2ccc(N)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-3-22(4-2)17-10-7-15(12-20-17)13-21-18(23)11-14-5-8-16(19)9-6-14/h5-10,12H,3-4,11,13,19H2,1-2H3,(H,21,23)
InChIKeyZUOKMOAWKUCGDB-UHFFFAOYSA-N
XLogP2.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454346
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55848290
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057541
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55964795
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55743125
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 60516023

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide (CID 119846342) is 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide is CCN(CC)c1ccc(CNC(=O)Cc2ccc(N)cc2)cn1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide?
The InChIKey is ZUOKMOAWKUCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-22(4-2)17-10-7-15(12-20-17)13-21-18(23)11-14-5-8-16(19)9-6-14/h5-10,12H,3-4,11,13,19H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide?
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 119846342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).