5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

C15H17ClN4O — CID 76944510

IUPAC5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccncc1)c1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C15H17ClN4O/c1-2-20(10-11-5-7-18-8-6-11)14-4-3-12(16)9-13(14)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19)
InChIKeyIWNXMYVNLHKZSO-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds5

About 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76944510) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76944510
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccncc1)c1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C15H17ClN4O/c1-2-20(10-11-5-7-18-8-6-11)14-4-3-12(16)9-13(14)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19)
InChIKeyIWNXMYVNLHKZSO-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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

4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
4-(4-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CID 748081
N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide
CID 2727253
9-Chloro-6,12-dimethyl-5,6,11,12-tetrahydropyrido[3,2-c][1,5]benzodiazocine
CID 8219202
N'-butyl-N-(4-chlorophenyl)-3-pyridinecarboximidamide
CID 3758243
N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 768261
N-(4-chlorophenyl)-N'-isopropyl-3-pyridinecarboximidamide
CID 3792618
N-(4-chlorophenyl)-N'-propyl-3-pyridinecarboximidamide
CID 4310862
6-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxypyridine-3-carboximidamide
CID 166636563
(Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 20478932
Methanesulfonamide, N-(4-chloro-2-methylphenyl)-N-(3-pyridinylmethyl)-
CID 163902
Benzenamine, 4-chloro-N-(3-pyridinylmethylene)-
CID 612167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76944510) is 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(Cc1ccncc1)c1ccc(Cl)cc1C(N)=NO.
What is the InChIKey of 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IWNXMYVNLHKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-20(10-11-5-7-18-8-6-11)14-4-3-12(16)9-13(14)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19).
What are the key properties of 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76944510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).