N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide

C15H18N4O — CID 77043764

IUPACN'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
SMILESNC(=NO)C(CNCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H18N4O/c16-15(19-20)14(13-6-2-1-3-7-13)11-18-10-12-5-4-8-17-9-12/h1-9,14,18,20H,10-11H2,(H2,16,19)
InChIKeyDGAMWBQITHHCJT-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.70
Rot. Bonds6

About N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide

N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide (PubChem CID 77043764) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
PubChem CID77043764
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
SMILESNC(=NO)C(CNCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H18N4O/c16-15(19-20)14(13-6-2-1-3-7-13)11-18-10-12-5-4-8-17-9-12/h1-9,14,18,20H,10-11H2,(H2,16,19)
InChIKeyDGAMWBQITHHCJT-UHFFFAOYSA-N
XLogP1.70
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.70
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-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide 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'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
CID 77043592
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide (CID 77043764) is N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide is NC(=NO)C(CNCc1cccnc1)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide?
The InChIKey is DGAMWBQITHHCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15(19-20)14(13-6-2-1-3-7-13)11-18-10-12-5-4-8-17-9-12/h1-9,14,18,20H,10-11H2,(H2,16,19).
What are the key properties of N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide?
N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide has a molecular weight of 270.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide is sourced from PubChem (CID 77043764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).