3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

C11H16N4O2 — CID 76920376

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(N)=NO
InChIInChI=1S/C11H16N4O2/c1-11(2,9(12)15-17)10(16)14-7-8-4-3-5-13-6-8/h3-6,17H,7H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyZNVFKJIYAIHYCC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 76920376) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID76920376
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(N)=NO
InChIInChI=1S/C11H16N4O2/c1-11(2,9(12)15-17)10(16)14-7-8-4-3-5-13-6-8/h3-6,17H,7H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyZNVFKJIYAIHYCC-UHFFFAOYSA-N
XLogP0.47
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide 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

N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
3-amino-N-[(3,4-difluorophenyl)methyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921734
N-(3,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963625
3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 155040377
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]amino]benzoate
CID 108963634
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 76920376) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C(=O)NCc1cccnc1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ZNVFKJIYAIHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,9(12)15-17)10(16)14-7-8-4-3-5-13-6-8/h3-6,17H,7H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 236.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 76920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).