5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide

C13H20N4O — CID 113321216

IUPAC5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c14-13(15)12-6-5-11(9-16-12)17(7-8-18)10-3-1-2-4-10/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15)
InChIKeyGUSZILJPBHNRCO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds5

About 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide

5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide (PubChem CID 113321216) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
PubChem CID113321216
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c14-13(15)12-6-5-11(9-16-12)17(7-8-18)10-3-1-2-4-10/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15)
InChIKeyGUSZILJPBHNRCO-UHFFFAOYSA-N
XLogP1.11
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
CID 83119849
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
CID 55104553
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide (CID 113321216) is 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)cn1.
What is the InChIKey of 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The InChIKey is GUSZILJPBHNRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)12-6-5-11(9-16-12)17(7-8-18)10-3-1-2-4-10/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15).
What are the key properties of 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 113321216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).