(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C11H16N4O2 — CID 43156182

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H16N4O2/c1-15(11(16)8-10(12)14-17)7-5-9-4-2-3-6-13-9/h2-4,6,17H,5,7-8H2,1H3,(H2,12,14)
InChIKeyKFLZYCZCPCBDIO-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.22
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 43156182) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID43156182
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H16N4O2/c1-15(11(16)8-10(12)14-17)7-5-9-4-2-3-6-13-9/h2-4,6,17H,5,7-8H2,1H3,(H2,12,14)
InChIKeyKFLZYCZCPCBDIO-UHFFFAOYSA-N
XLogP0.22
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.22
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

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111095959
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
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
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110935198
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111095936
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110935214
2-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110935205

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 43156182) is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is KFLZYCZCPCBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(11(16)8-10(12)14-17)7-5-9-4-2-3-6-13-9/h2-4,6,17H,5,7-8H2,1H3,(H2,12,14).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 236.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 43156182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).