N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide

C16H20N4O — CID 81273309

IUPACN'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
SMILESCc1cccc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-14(7-8-15(11)16(17)19-21)20(3)10-13-6-4-5-12(2)18-13/h4-9,21H,10H2,1-3H3,(H2,17,19)
InChIKeyOFIMYCPXKJZYMO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.43
Rot. Bonds4

About N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide

N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide (PubChem CID 81273309) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
PubChem CID81273309
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
SMILESCc1cccc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-14(7-8-15(11)16(17)19-21)20(3)10-13-6-4-5-12(2)18-13/h4-9,21H,10H2,1-3H3,(H2,17,19)
InChIKeyOFIMYCPXKJZYMO-UHFFFAOYSA-N
XLogP2.43
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.43
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

N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 79267976
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
4-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81274312
N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 114230242
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
CID 81277641
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
3-iodo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 106494629
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide (CID 81273309) is N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide is Cc1cccc(CN(C)c2ccc(/C(N)=N/O)c(C)c2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
The InChIKey is OFIMYCPXKJZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-9-14(7-8-15(11)16(17)19-21)20(3)10-13-6-4-5-12(2)18-13/h4-9,21H,10H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide?
N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 81273309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).