2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide

C15H17ClN4O — CID 76945369

IUPAC2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccccn1)c1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C15H17ClN4O/c1-20(10-8-11-5-2-3-9-18-11)13-7-4-6-12(16)14(13)15(17)19-21/h2-7,9,21H,8,10H2,1H3,(H2,17,19)
InChIKeyOIKNMGZMWUMUFT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide

2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (PubChem CID 76945369) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
PubChem CID76945369
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccccn1)c1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C15H17ClN4O/c1-20(10-8-11-5-2-3-9-18-11)13-7-4-6-12(16)14(13)15(17)19-21/h2-7,9,21H,8,10H2,1H3,(H2,17,19)
InChIKeyOIKNMGZMWUMUFT-UHFFFAOYSA-N
XLogP2.51
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.51
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

2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070412
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-chloro-N'-hydroxy-6-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 55079599
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (CID 76945369) is 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide is CN(CCc1ccccn1)c1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The InChIKey is OIKNMGZMWUMUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(10-8-11-5-2-3-9-18-11)13-7-4-6-12(16)14(13)15(17)19-21/h2-7,9,21H,8,10H2,1H3,(H2,17,19).
What are the key properties of 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76945369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).