N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide

C15H20N4OS — CID 81038136

IUPACN'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
SMILESCC1=CC(=C(C(=N1)C)/C(=N/O)/N)N(C)C(C)C2=CC=CS2
InChIInChI=1S/C15H20N4OS/c1-9-8-12(14(10(2)17-9)15(16)18-20)19(4)11(3)13-6-5-7-21-13/h5-8,11,20H,1-4H3,(H2,16,18)
InChIKeyTVGBDPBOXRZZJD-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.50
Rot. Bonds4

About N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide (PubChem CID 81038136) has the molecular formula C15H20N4OS and a molecular weight of 304.40 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
PubChem CID81038136
Molecular FormulaC15H20N4OS
Molecular Weight304.40 g/mol
Exact Mass304.14
IUPAC NameN'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
SMILESCC1=CC(=C(C(=N1)C)/C(=N/O)/N)N(C)C(C)C2=CC=CS2
InChIInChI=1S/C15H20N4OS/c1-9-8-12(14(10(2)17-9)15(16)18-20)19(4)11(3)13-6-5-7-21-13/h5-8,11,20H,1-4H3,(H2,16,18)
InChIKeyTVGBDPBOXRZZJD-UHFFFAOYSA-N
XLogP2.50
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity379

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide (CID 81038136) is N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide is CC1=CC(=C(C(=N1)C)/C(=N/O)/N)N(C)C(C)C2=CC=CS2.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide?
The InChIKey is TVGBDPBOXRZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-8-12(14(10(2)17-9)15(16)18-20)19(4)11(3)13-6-5-7-21-13/h5-8,11,20H,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide has a molecular weight of 304.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).