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

C16H19N3O — CID 119549060

IUPACN-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc(N)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-12-2-3-14(11-19-12)10-16(20)18-9-8-13-4-6-15(17)7-5-13/h2-7,11H,8-10,17H2,1H3,(H,18,20)
InChIKeyZKCBVVDGQBRLMA-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.87
Rot. Bonds5

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

N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 119549060) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID119549060
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc(N)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-12-2-3-14(11-19-12)10-16(20)18-9-8-13-4-6-15(17)7-5-13/h2-7,11H,8-10,17H2,1H3,(H,18,20)
InChIKeyZKCBVVDGQBRLMA-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 119549060) is N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCCc2ccc(N)cc2)cn1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is ZKCBVVDGQBRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-2-3-14(11-19-12)10-16(20)18-9-8-13-4-6-15(17)7-5-13/h2-7,11H,8-10,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 119549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).