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

C15H16N4O — CID 166984578

IUPAC2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide
SMILES[H]/N=C(\C(=O)NCCc1cccnc1)c1ccccc1N
InChIInChI=1S/C15H16N4O/c16-13-6-2-1-5-12(13)14(17)15(20)19-9-7-11-4-3-8-18-10-11/h1-6,8,10,17H,7,9,16H2,(H,19,20)/b17-14-
InChIKeyCRYVXSVPVXJPJH-VKAVYKQESA-N
MW268.32 g/mol
LogP1.39
Rot. Bonds5

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

2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 166984578) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID166984578
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide
SMILES[H]/N=C(\C(=O)NCCc1cccnc1)c1ccccc1N
InChIInChI=1S/C15H16N4O/c16-13-6-2-1-5-12(13)14(17)15(20)19-9-7-11-4-3-8-18-10-11/h1-6,8,10,17H,7,9,16H2,(H,19,20)/b17-14-
InChIKeyCRYVXSVPVXJPJH-VKAVYKQESA-N
XLogP1.39
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-anilino-N-(2-pyridin-3-ylethyl)benzamide
CID 36866409
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide (CID 166984578) is 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide is [H]/N=C(\C(=O)NCCc1cccnc1)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is CRYVXSVPVXJPJH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16N4O/c16-13-6-2-1-5-12(13)14(17)15(20)19-9-7-11-4-3-8-18-10-11/h1-6,8,10,17H,7,9,16H2,(H,19,20)/b17-14-.
What are the key properties of 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide?
2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 166984578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).