3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide

C12H19ClN4O2 — CID 136739406

IUPAC3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
SMILESCCN(c1nccc(/C(N)=N/O)c1Cl)C(C)COC
InChIInChI=1S/C12H19ClN4O2/c1-4-17(8(2)7-19-3)12-10(13)9(5-6-15-12)11(14)16-18/h5-6,8,18H,4,7H2,1-3H3,(H2,14,16)
InChIKeyZBPWXGDAHJUJAM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.69
Rot. Bonds6

About 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739406) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739406
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
SMILESCCN(c1nccc(/C(N)=N/O)c1Cl)C(C)COC
InChIInChI=1S/C12H19ClN4O2/c1-4-17(8(2)7-19-3)12-10(13)9(5-6-15-12)11(14)16-18/h5-6,8,18H,4,7H2,1-3H3,(H2,14,16)
InChIKeyZBPWXGDAHJUJAM-UHFFFAOYSA-N
XLogP1.69
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.69
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

5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272
3-chloro-N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 136739556
3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739374
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302918
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
CID 136739427
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide (CID 136739406) is 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide is CCN(c1nccc(/C(N)=N/O)c1Cl)C(C)COC.
What is the InChIKey of 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is ZBPWXGDAHJUJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-4-17(8(2)7-19-3)12-10(13)9(5-6-15-12)11(14)16-18/h5-6,8,18H,4,7H2,1-3H3,(H2,14,16).
What are the key properties of 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 286.76 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).