5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide

C15H17ClN4O — CID 136990635

IUPAC5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C15H17ClN4O/c1-10(11-4-3-5-12(16)8-11)20(2)13-6-7-14(18-9-13)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19)
InChIKeyPXQMIYNOABEALM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.03
Rot. Bonds4

About 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide

5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990635) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990635
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C15H17ClN4O/c1-10(11-4-3-5-12(16)8-11)20(2)13-6-7-14(18-9-13)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19)
InChIKeyPXQMIYNOABEALM-UHFFFAOYSA-N
XLogP3.03
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.03
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

1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 64594303
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
5-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 115488566
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
CID 79589980
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide (CID 136990635) is 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide is CC(c1cccc(Cl)c1)N(C)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is PXQMIYNOABEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(11-4-3-5-12(16)8-11)20(2)13-6-7-14(18-9-13)15(17)19-21/h3-10,21H,1-2H3,(H2,17,19).
What are the key properties of 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).