N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide

C21H25N3O2 — CID 56658958

IUPACN'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
SMILESON/C(=N\C1CCCC1)c1ccc(Oc2cccc3c2CCCC3)nc1
InChIInChI=1S/C21H25N3O2/c25-24-21(23-17-8-2-3-9-17)16-12-13-20(22-14-16)26-19-11-5-7-15-6-1-4-10-18(15)19/h5,7,11-14,17,25H,1-4,6,8-10H2,(H,23,24)
InChIKeySLRGTJHMUFCFJS-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.42
Rot. Bonds4

About N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide

N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide (PubChem CID 56658958) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
PubChem CID56658958
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
SMILESON/C(=N\C1CCCC1)c1ccc(Oc2cccc3c2CCCC3)nc1
InChIInChI=1S/C21H25N3O2/c25-24-21(23-17-8-2-3-9-17)16-12-13-20(22-14-16)26-19-11-5-7-15-6-1-4-10-18(15)19/h5,7,11-14,17,25H,1-4,6,8-10H2,(H,23,24)
InChIKeySLRGTJHMUFCFJS-UHFFFAOYSA-N
XLogP4.42
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.42
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679540
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342648
1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
CID 142940273
N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
CID 56675837
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
N-hydroxy-N'-(oxolan-2-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56672713
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11416907
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342660

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide (CID 56658958) is N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide is ON/C(=N\C1CCCC1)c1ccc(Oc2cccc3c2CCCC3)nc1.
What is the InChIKey of N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide?
The InChIKey is SLRGTJHMUFCFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-24-21(23-17-8-2-3-9-17)16-12-13-20(22-14-16)26-19-11-5-7-15-6-1-4-10-18(15)19/h5,7,11-14,17,25H,1-4,6,8-10H2,(H,23,24).
What are the key properties of N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide?
N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide has a molecular weight of 351.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56658958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).