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

C16H20N4O — CID 77025730

IUPACN'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
SMILESNC(CC(NCCc1ccccn1)c1ccccc1)=NO
InChIInChI=1S/C16H20N4O/c17-16(20-21)12-15(13-6-2-1-3-7-13)19-11-9-14-8-4-5-10-18-14/h1-8,10,15,19,21H,9,11-12H2,(H2,17,20)
InChIKeyCSDUTWKUQRCLMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds7

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

N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide (PubChem CID 77025730) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
PubChem CID77025730
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
SMILESNC(CC(NCCc1ccccn1)c1ccccc1)=NO
InChIInChI=1S/C16H20N4O/c17-16(20-21)12-15(13-6-2-1-3-7-13)19-11-9-14-8-4-5-10-18-14/h1-8,10,15,19,21H,9,11-12H2,(H2,17,20)
InChIKeyCSDUTWKUQRCLMP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43178454
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide (CID 77025730) is N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide is NC(CC(NCCc1ccccn1)c1ccccc1)=NO.
What is the InChIKey of N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide?
The InChIKey is CSDUTWKUQRCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(20-21)12-15(13-6-2-1-3-7-13)19-11-9-14-8-4-5-10-18-14/h1-8,10,15,19,21H,9,11-12H2,(H2,17,20).
What are the key properties of N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide?
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.09, 7 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-(2-pyridin-2-ylethylamino)propanimidamide is sourced from PubChem (CID 77025730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).