N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide

C9H14N4O — CID 77029615

IUPACN'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
SMILESCC(NCC(N)=NO)c1ccncc1
InChIInChI=1S/C9H14N4O/c1-7(12-6-9(10)13-14)8-2-4-11-5-3-8/h2-5,7,12,14H,6H2,1H3,(H2,10,13)
InChIKeyPRBZWLKWAONISD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.48
Rot. Bonds4

About N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide

N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide (PubChem CID 77029615) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
PubChem CID77029615
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
SMILESCC(NCC(N)=NO)c1ccncc1
InChIInChI=1S/C9H14N4O/c1-7(12-6-9(10)13-14)8-2-4-11-5-3-8/h2-5,7,12,14H,6H2,1H3,(H2,10,13)
InChIKeyPRBZWLKWAONISD-UHFFFAOYSA-N
XLogP0.48
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.48
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 N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide 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

2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
CID 81364426
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
3-[1-(4-chlorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77031281
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide (CID 77029615) is N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide is CC(NCC(N)=NO)c1ccncc1.
What is the InChIKey of N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide?
The InChIKey is PRBZWLKWAONISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(12-6-9(10)13-14)8-2-4-11-5-3-8/h2-5,7,12,14H,6H2,1H3,(H2,10,13).
What are the key properties of N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide?
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide is sourced from PubChem (CID 77029615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).