6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide

C12H18N4O — CID 102863037

IUPAC6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(CCO)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c13-12(14)10-5-2-6-11(15-10)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8H2,(H3,13,14)
InChIKeyYTKSIWCSDICIFX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds5

About 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide

6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide (PubChem CID 102863037) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
PubChem CID102863037
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(CCO)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c13-12(14)10-5-2-6-11(15-10)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8H2,(H3,13,14)
InChIKeyYTKSIWCSDICIFX-UHFFFAOYSA-N
XLogP0.72
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
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

2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
CID 64594960
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
CID 122055732
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
pyridine-2,6-dicarboximidamide
CID 23373306
6-cyclohexyloxypyridine-2-carboximidamide
CID 53485053
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
CID 55104553
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide (CID 102863037) is 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(CCO)C2CCC2)n1.
What is the InChIKey of 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
The InChIKey is YTKSIWCSDICIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)10-5-2-6-11(15-10)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8H2,(H3,13,14).
What are the key properties of 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide?
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 102863037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).