N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide

C16H20N4O — CID 77043592

IUPACN'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
SMILESCN(Cc1cccnc1)CC(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-20(11-13-6-5-9-18-10-13)12-15(16(17)19-21)14-7-3-2-4-8-14/h2-10,15,21H,11-12H2,1H3,(H2,17,19)
InChIKeyWLXXNYNPXNVXCL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds6

About N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide (PubChem CID 77043592) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
PubChem CID77043592
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide
SMILESCN(Cc1cccnc1)CC(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-20(11-13-6-5-9-18-10-13)12-15(16(17)19-21)14-7-3-2-4-8-14/h2-10,15,21H,11-12H2,1H3,(H2,17,19)
InChIKeyWLXXNYNPXNVXCL-UHFFFAOYSA-N
XLogP2.04
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
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

N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
CID 81055319
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide (CID 77043592) is N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide is CN(Cc1cccnc1)CC(C(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide?
The InChIKey is WLXXNYNPXNVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(11-13-6-5-9-18-10-13)12-15(16(17)19-21)14-7-3-2-4-8-14/h2-10,15,21H,11-12H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).