N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide

C16H20N4O — CID 77043610

IUPACN'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
SMILESCc1cccc(CNCC(C(N)=NO)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12-6-5-9-14(19-12)10-18-11-15(16(17)20-21)13-7-3-2-4-8-13/h2-9,15,18,21H,10-11H2,1H3,(H2,17,20)
InChIKeyQNFVURYMAFKNKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds6

About N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide (PubChem CID 77043610) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
PubChem CID77043610
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
SMILESCc1cccc(CNCC(C(N)=NO)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12-6-5-9-14(19-12)10-18-11-15(16(17)20-21)13-7-3-2-4-8-13/h2-9,15,18,21H,10-11H2,1H3,(H2,17,20)
InChIKeyQNFVURYMAFKNKQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
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-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939038
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide (CID 77043610) is N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide is Cc1cccc(CNCC(C(N)=NO)c2ccccc2)n1.
What is the InChIKey of N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide?
The InChIKey is QNFVURYMAFKNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-6-5-9-14(19-12)10-18-11-15(16(17)20-21)13-7-3-2-4-8-13/h2-9,15,18,21H,10-11H2,1H3,(H2,17,20).
What are the key properties of N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).