2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide

C15H17N3O — CID 60895368

IUPAC2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
SMILESNc1ccccc1CC(=O)NCCc1cccnc1
InChIInChI=1S/C15H17N3O/c16-14-6-2-1-5-13(14)10-15(19)18-9-7-12-4-3-8-17-11-12/h1-6,8,11H,7,9-10,16H2,(H,18,19)
InChIKeyCBJSNMMHZAGKHH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide

2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 60895368) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID60895368
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
SMILESNc1ccccc1CC(=O)NCCc1cccnc1
InChIInChI=1S/C15H17N3O/c16-14-6-2-1-5-13(14)10-15(19)18-9-7-12-4-3-8-17-11-12/h1-6,8,11H,7,9-10,16H2,(H,18,19)
InChIKeyCBJSNMMHZAGKHH-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 11335291
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide
CID 166984578
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide (CID 60895368) is 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide is Nc1ccccc1CC(=O)NCCc1cccnc1.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is CBJSNMMHZAGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14-6-2-1-5-13(14)10-15(19)18-9-7-12-4-3-8-17-11-12/h1-6,8,11H,7,9-10,16H2,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide?
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 60895368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).