6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

C14H15ClN4O — CID 76903791

IUPAC6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1ccccc1Cl)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-5-12(11)15)13-7-6-10(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyABRDNGPKCLPZED-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.47
Rot. Bonds4

About 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76903791) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76903791
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1ccccc1Cl)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-5-12(11)15)13-7-6-10(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyABRDNGPKCLPZED-UHFFFAOYSA-N
XLogP2.47
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (CID 76903791) is 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is CN(Cc1ccccc1Cl)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is ABRDNGPKCLPZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-5-12(11)15)13-7-6-10(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 290.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).