N'-(3-hydroxy-2-pyridinyl)butanimidamide

C9H13N3O — CID 22871178

IUPACN'-(3-hydroxy-2-pyridinyl)butanimidamide
SMILESCCC/C(N)=N\c1ncccc1O
InChIInChI=1S/C9H13N3O/c1-2-4-8(10)12-9-7(13)5-3-6-11-9/h3,5-6,13H,2,4H2,1H3,(H2,10,11,12)
InChIKeyWCMJUSWSSNVYED-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.58
Rot. Bonds3

About N'-(3-hydroxy-2-pyridinyl)butanimidamide

N'-(3-hydroxy-2-pyridinyl)butanimidamide (PubChem CID 22871178) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-(3-hydroxy-2-pyridinyl)butanimidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-2-pyridinyl)butanimidamide
PubChem CID22871178
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN'-(3-hydroxy-2-pyridinyl)butanimidamide
SMILESCCC/C(N)=N\c1ncccc1O
InChIInChI=1S/C9H13N3O/c1-2-4-8(10)12-9-7(13)5-3-6-11-9/h3,5-6,13H,2,4H2,1H3,(H2,10,11,12)
InChIKeyWCMJUSWSSNVYED-UHFFFAOYSA-N
XLogP1.58
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-hydroxy-2-pyridinyl)ethanimidamide
CID 10351864
2-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]pyridin-3-ol
CID 137201296
(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine
CID 22952354
N'-(2-ethylphenyl)butanimidamide
CID 63178290
N'-quinolin-5-ylpropanimidamide
CID 63174316
N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide
CID 131176747
N'-quinolin-8-ylpropanimidamide
CID 63174469
N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide
CID 142635007
2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
CID 135912097
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
N'-(1,3-thiazol-2-ylmethyl)butanimidamide
CID 63177124
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-2-pyridinyl)butanimidamide?
The IUPAC name of N'-(3-hydroxy-2-pyridinyl)butanimidamide (CID 22871178) is N'-(3-hydroxy-2-pyridinyl)butanimidamide.
What is the SMILES notation for N'-(3-hydroxy-2-pyridinyl)butanimidamide?
The canonical SMILES for N'-(3-hydroxy-2-pyridinyl)butanimidamide is CCC/C(N)=N\c1ncccc1O.
What is the InChIKey of N'-(3-hydroxy-2-pyridinyl)butanimidamide?
The InChIKey is WCMJUSWSSNVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-4-8(10)12-9-7(13)5-3-6-11-9/h3,5-6,13H,2,4H2,1H3,(H2,10,11,12).
What are the key properties of N'-(3-hydroxy-2-pyridinyl)butanimidamide?
N'-(3-hydroxy-2-pyridinyl)butanimidamide has a molecular weight of 179.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-2-pyridinyl)butanimidamide is sourced from PubChem (CID 22871178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).