3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide

C14H15ClN4O — CID 76984402

IUPAC3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
SMILESCN(Cc1ccccn1)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-7-17-11)13-6-5-10(8-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTWODZYRKIAOPTN-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.47
Rot. Bonds4

About 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 76984402) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID76984402
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
SMILESCN(Cc1ccccn1)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-7-17-11)13-6-5-10(8-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTWODZYRKIAOPTN-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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Related Compounds

3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
3-chloro-N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 114230237
3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666909
2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
3-chloro-N'-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarboximidamide
CID 77108514
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide (CID 76984402) is 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide is CN(Cc1ccccn1)c1ccc(C(N)=NO)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is TWODZYRKIAOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-19(9-11-4-2-3-7-17-11)13-6-5-10(8-12(13)15)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide 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 3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76984402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).