N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide

C15H23N3O2 — CID 76582869

IUPACN'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
SMILESNC(=NOCC(O)CC1CCCCC1)c1cccnc1
InChIInChI=1S/C15H23N3O2/c16-15(13-7-4-8-17-10-13)18-20-11-14(19)9-12-5-2-1-3-6-12/h4,7-8,10,12,14,19H,1-3,5-6,9,11H2,(H2,16,18)
InChIKeyHJUXMGIUHMJTFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds6

About N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide

N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide (PubChem CID 76582869) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
PubChem CID76582869
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
SMILESNC(=NOCC(O)CC1CCCCC1)c1cccnc1
InChIInChI=1S/C15H23N3O2/c16-15(13-7-4-8-17-10-13)18-20-11-14(19)9-12-5-2-1-3-6-12/h4,7-8,10,12,14,19H,1-3,5-6,9,11H2,(H2,16,18)
InChIKeyHJUXMGIUHMJTFX-UHFFFAOYSA-N
XLogP2.05
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
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'}

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Related Compounds

N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
CID 57148724
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
CID 139785157
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
CID 87474140
N'-methoxypyridine-3-carboximidamide
CID 82467799
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
cyclohexylidene(pyridin-3-yl)methanamine
CID 151094378

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide (CID 76582869) is N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide is NC(=NOCC(O)CC1CCCCC1)c1cccnc1.
What is the InChIKey of N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide?
The InChIKey is HJUXMGIUHMJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(13-7-4-8-17-10-13)18-20-11-14(19)9-12-5-2-1-3-6-12/h4,7-8,10,12,14,19H,1-3,5-6,9,11H2,(H2,16,18).
What are the key properties of N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide?
N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 76582869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).