N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide

C14H17N5O — CID 136990475

IUPACN'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
SMILESCN(CCc1ccccn1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C14H17N5O/c1-19(9-7-11-4-2-3-8-16-11)12-5-6-13(17-10-12)14(15)18-20/h2-6,8,10,20H,7,9H2,1H3,(H2,15,18)
InChIKeyJQMVALMOYCZDOA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds5

About N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide

N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide (PubChem CID 136990475) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
PubChem CID136990475
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
SMILESCN(CCc1ccccn1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C14H17N5O/c1-19(9-7-11-4-2-3-8-16-11)12-5-6-13(17-10-12)14(15)18-20/h2-6,8,10,20H,7,9H2,1H3,(H2,15,18)
InChIKeyJQMVALMOYCZDOA-UHFFFAOYSA-N
XLogP1.25
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938326
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
CID 76915553
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990531
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide (CID 136990475) is N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide is CN(CCc1ccccn1)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide?
The InChIKey is JQMVALMOYCZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(9-7-11-4-2-3-8-16-11)12-5-6-13(17-10-12)14(15)18-20/h2-6,8,10,20H,7,9H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136990475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).