N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide

C16H20N4O — CID 77028617

IUPACN'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide
SMILESNC(CCCNC(c1ccccc1)c1ccncc1)=NO
InChIInChI=1S/C16H20N4O/c17-15(20-21)7-4-10-19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14/h1-3,5-6,8-9,11-12,16,19,21H,4,7,10H2,(H2,17,20)
InChIKeyZQQOPFHTQYAYHI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.29
Rot. Bonds7

About N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide

N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide (PubChem CID 77028617) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide
PubChem CID77028617
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide
SMILESNC(CCCNC(c1ccccc1)c1ccncc1)=NO
InChIInChI=1S/C16H20N4O/c17-15(20-21)7-4-10-19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14/h1-3,5-6,8-9,11-12,16,19,21H,4,7,10H2,(H2,17,20)
InChIKeyZQQOPFHTQYAYHI-UHFFFAOYSA-N
XLogP2.29
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81365911
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
CID 81378812
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
CID 77029615

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide (CID 77028617) is N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide is NC(CCCNC(c1ccccc1)c1ccncc1)=NO.
What is the InChIKey of N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide?
The InChIKey is ZQQOPFHTQYAYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-15(20-21)7-4-10-19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14/h1-3,5-6,8-9,11-12,16,19,21H,4,7,10H2,(H2,17,20).
What are the key properties of N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide?
N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[phenyl(pyridin-4-yl)methyl]amino]butanimidamide is sourced from PubChem (CID 77028617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).