N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide

C14H16N4O2 — CID 76930674

IUPACN'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide
SMILESCOc1cccc(N(C)c2ccc(C(N)=NO)cn2)c1
InChIInChI=1S/C14H16N4O2/c1-18(11-4-3-5-12(8-11)20-2)13-7-6-10(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17)
InChIKeyOFTAEXYRRNDDMH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.95
Rot. Bonds4

About N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide

N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide (PubChem CID 76930674) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide
PubChem CID76930674
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide
SMILESCOc1cccc(N(C)c2ccc(C(N)=NO)cn2)c1
InChIInChI=1S/C14H16N4O2/c1-18(11-4-3-5-12(8-11)20-2)13-7-6-10(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17)
InChIKeyOFTAEXYRRNDDMH-UHFFFAOYSA-N
XLogP1.95
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776
2-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224
N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62292816
6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903782
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534075
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
6-(1-aminoethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 83123026
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide (CID 76930674) is N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide is COc1cccc(N(C)c2ccc(C(N)=NO)cn2)c1.
What is the InChIKey of N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide?
The InChIKey is OFTAEXYRRNDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(11-4-3-5-12(8-11)20-2)13-7-6-10(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide?
N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide is sourced from PubChem (CID 76930674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).