N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide

C17H21N3O2 — CID 82031807

IUPACN-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccn(CC(C)(C)C(=O)Nc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C17H21N3O2/c1-12-8-9-20(15(21)10-12)11-17(2,3)16(22)19-14-6-4-13(18)5-7-14/h4-10H,11,18H2,1-3H3,(H,19,22)
InChIKeyBAGBSPGOOWDHKR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.40
Rot. Bonds4

About N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide

N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 82031807) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
PubChem CID82031807
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccn(CC(C)(C)C(=O)Nc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C17H21N3O2/c1-12-8-9-20(15(21)10-12)11-17(2,3)16(22)19-14-6-4-13(18)5-7-14/h4-10H,11,18H2,1-3H3,(H,19,22)
InChIKeyBAGBSPGOOWDHKR-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide (CID 82031807) is N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide is Cc1ccn(CC(C)(C)C(=O)Nc2ccc(N)cc2)c(=O)c1.
What is the InChIKey of N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is BAGBSPGOOWDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-9-20(15(21)10-12)11-17(2,3)16(22)19-14-6-4-13(18)5-7-14/h4-10H,11,18H2,1-3H3,(H,19,22).
What are the key properties of N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide?
N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-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-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82031807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).