3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide

C14H15ClN4O — CID 136739430

IUPAC3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
SMILESCc1cccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-9-4-3-5-10(8-9)19(2)14-12(15)11(6-7-17-14)13(16)18-20/h3-8,20H,1-2H3,(H2,16,18)
InChIKeyVQYNCVBDXKIZQX-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.91
Rot. Bonds3

About 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739430) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739430
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
SMILESCc1cccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-9-4-3-5-10(8-9)19(2)14-12(15)11(6-7-17-14)13(16)18-20/h3-8,20H,1-2H3,(H2,16,18)
InChIKeyVQYNCVBDXKIZQX-UHFFFAOYSA-N
XLogP2.91
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.91
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-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
CID 136739427
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984280
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
3-(N,3-dimethylanilino)pyridazine-4-carbothioamide
CID 80511212
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
CID 137006835
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide (CID 136739430) is 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide is Cc1cccc(N(C)c2nccc(/C(N)=N/O)c2Cl)c1.
What is the InChIKey of 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is VQYNCVBDXKIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-4-3-5-10(8-9)19(2)14-12(15)11(6-7-17-14)13(16)18-20/h3-8,20H,1-2H3,(H2,16,18).
What are the key properties of 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 290.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).