N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide

C16H20N4O — CID 61450643

IUPACN-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1N)Cc1ccncc1
InChIInChI=1S/C16H20N4O/c1-2-20(11-13-7-9-18-10-8-13)12-16(21)19-15-6-4-3-5-14(15)17/h3-10H,2,11-12,17H2,1H3,(H,19,21)
InChIKeyKYSWQCOVXBRORQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds6

About N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide

N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 61450643) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID61450643
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1N)Cc1ccncc1
InChIInChI=1S/C16H20N4O/c1-2-20(11-13-7-9-18-10-8-13)12-16(21)19-15-6-4-3-5-14(15)17/h3-10H,2,11-12,17H2,1H3,(H,19,21)
InChIKeyKYSWQCOVXBRORQ-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8564163
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
CID 43459401
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide (CID 61450643) is N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccccc1N)Cc1ccncc1.
What is the InChIKey of N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is KYSWQCOVXBRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20(11-13-7-9-18-10-8-13)12-16(21)19-15-6-4-3-5-14(15)17/h3-10H,2,11-12,17H2,1H3,(H,19,21).
What are the key properties of N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 61450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).