N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C17H21N3O2 — CID 82031875

IUPACN-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CC(C)(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C17H21N3O2/c1-12-7-6-10-15(21)20(12)11-17(2,3)16(22)19-14-9-5-4-8-13(14)18/h4-10H,11,18H2,1-3H3,(H,19,22)
InChIKeyUIUSKXHESPDGKG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.40
Rot. Bonds4

About N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 82031875) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID82031875
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CC(C)(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C17H21N3O2/c1-12-7-6-10-15(21)20(12)11-17(2,3)16(22)19-14-9-5-4-8-13(14)18/h4-10H,11,18H2,1-3H3,(H,19,22)
InChIKeyUIUSKXHESPDGKG-UHFFFAOYSA-N
XLogP2.40
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 82031875) is N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cccc(=O)n1CC(C)(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is UIUSKXHESPDGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-6-10-15(21)20(12)11-17(2,3)16(22)19-14-9-5-4-8-13(14)18/h4-10H,11,18H2,1-3H3,(H,19,22).
What are the key properties of N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82031875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).