N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide

C15H20N4OS — CID 76916135

IUPACN'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N(Cc2cccs2)C(C)C)n1
InChIInChI=1S/C15H20N4OS/c1-10(2)19(9-12-5-4-8-21-12)15-13(14(16)18-20)7-6-11(3)17-15/h4-8,10,20H,9H2,1-3H3,(H2,16,18)
InChIKeyOIWVOVYTFCJUKL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds5

About N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide (PubChem CID 76916135) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
PubChem CID76916135
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N(Cc2cccs2)C(C)C)n1
InChIInChI=1S/C15H20N4OS/c1-10(2)19(9-12-5-4-8-21-12)15-13(14(16)18-20)7-6-11(3)17-15/h4-8,10,20H,9H2,1-3H3,(H2,16,18)
InChIKeyOIWVOVYTFCJUKL-UHFFFAOYSA-N
XLogP2.96
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.96
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

3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739374
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916149
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916146
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
6-hydrazinyl-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896519
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide (CID 76916135) is N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(N(Cc2cccs2)C(C)C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide?
The InChIKey is OIWVOVYTFCJUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)19(9-12-5-4-8-21-12)15-13(14(16)18-20)7-6-11(3)17-15/h4-8,10,20H,9H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide has a molecular weight of 304.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 76916135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).