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

C12H18N4O2 — CID 76926661

IUPAC3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-9(11(13)15-18)12(17)16(2)8-6-10-5-3-4-7-14-10/h3-5,7,9,18H,6,8H2,1-2H3,(H2,13,15)
InChIKeyCJKGIIFZWPFKCM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds5

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

3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 76926661) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID76926661
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)C(N)=NO
InChIInChI=1S/C12H18N4O2/c1-9(11(13)15-18)12(17)16(2)8-6-10-5-3-4-7-14-10/h3-5,7,9,18H,6,8H2,1-2H3,(H2,13,15)
InChIKeyCJKGIIFZWPFKCM-UHFFFAOYSA-N
XLogP0.47
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
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'}

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Related Compounds

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
CID 76915553
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 80590459
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
CID 76919337

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (CID 76926661) is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is CC(C(=O)N(C)CCc1ccccn1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is CJKGIIFZWPFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(11(13)15-18)12(17)16(2)8-6-10-5-3-4-7-14-10/h3-5,7,9,18H,6,8H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 76926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).