N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide

C16H20N4O — CID 77028172

IUPACN'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
SMILESCC(NC(CC(N)=NO)c1ccccc1)c1cccnc1
InChIInChI=1S/C16H20N4O/c1-12(14-8-5-9-18-11-14)19-15(10-16(17)20-21)13-6-3-2-4-7-13/h2-9,11-12,15,19,21H,10H2,1H3,(H2,17,20)
InChIKeyORWAXKHXGKZWHO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.61
Rot. Bonds6

About N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide

N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide (PubChem CID 77028172) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
PubChem CID77028172
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
SMILESCC(NC(CC(N)=NO)c1ccccc1)c1cccnc1
InChIInChI=1S/C16H20N4O/c1-12(14-8-5-9-18-11-14)19-15(10-16(17)20-21)13-6-3-2-4-7-13/h2-9,11-12,15,19,21H,10H2,1H3,(H2,17,20)
InChIKeyORWAXKHXGKZWHO-UHFFFAOYSA-N
XLogP2.61
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.61
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'}

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Related Compounds

N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide (CID 77028172) is N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide is CC(NC(CC(N)=NO)c1ccccc1)c1cccnc1.
What is the InChIKey of N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide?
The InChIKey is ORWAXKHXGKZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(14-8-5-9-18-11-14)19-15(10-16(17)20-21)13-6-3-2-4-7-13/h2-9,11-12,15,19,21H,10H2,1H3,(H2,17,20).
What are the key properties of N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide?
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide is sourced from PubChem (CID 77028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).