N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide

C11H12N4O — CID 114654685

IUPACN'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1Cc1ccccn1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-5-3-7-15(10)8-9-4-1-2-6-13-9/h1-7,16H,8H2,(H2,12,14)
InChIKeyDSLTXWKQMGWKFD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds3

About N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide

N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide (PubChem CID 114654685) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide
PubChem CID114654685
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1Cc1ccccn1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-5-3-7-15(10)8-9-4-1-2-6-13-9/h1-7,16H,8H2,(H2,12,14)
InChIKeyDSLTXWKQMGWKFD-UHFFFAOYSA-N
XLogP1.03
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
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-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
CID 114654780
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494
N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
CID 114654828
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468720
N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
CID 103139606
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 22343319
1-(3-ethylsulfanylpropyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654881
1-[(5-bromo-2-pyridinyl)methyl]pyrrole-2-carbothioamide
CID 114653975
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide (CID 114654685) is N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide is N/C(=N/O)c1cccn1Cc1ccccn1.
What is the InChIKey of N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide?
The InChIKey is DSLTXWKQMGWKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11(14-16)10-5-3-7-15(10)8-9-4-1-2-6-13-9/h1-7,16H,8H2,(H2,12,14).
What are the key properties of N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide?
N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide has a molecular weight of 216.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide is sourced from PubChem (CID 114654685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).