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
SMILESCc1cc(N(C)C(C)c2cccs2)c(/C(N)=N/O)c(C)n1
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
MW304.42 g/mol
LogP3.05
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 304.42 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 Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
SMILESCc1cc(N(C)C(C)c2cccs2)c(/C(N)=N/O)c(C)n1
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
XLogP3.05
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.05
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

N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 102632392
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 112746053
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054312
2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798

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 Cc1cc(N(C)C(C)c2cccs2)c(/C(N)=N/O)c(C)n1.
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 304.42 g/mol, XLogP of 3.05, 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).