2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide

C13H20N4O — CID 102863039

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCO)C2CCC2)c1
InChIInChI=1S/C13H20N4O/c1-9-7-10(13(14)15)8-12(16-9)17(5-6-18)11-3-2-4-11/h7-8,11,18H,2-6H2,1H3,(H3,14,15)
InChIKeyDROQGNPMROBECJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds5

About 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide

2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 102863039) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID102863039
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCO)C2CCC2)c1
InChIInChI=1S/C13H20N4O/c1-9-7-10(13(14)15)8-12(16-9)17(5-6-18)11-3-2-4-11/h7-8,11,18H,2-6H2,1H3,(H3,14,15)
InChIKeyDROQGNPMROBECJ-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide (CID 102863039) is 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CCO)C2CCC2)c1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is DROQGNPMROBECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-7-10(13(14)15)8-12(16-9)17(5-6-18)11-3-2-4-11/h7-8,11,18H,2-6H2,1H3,(H3,14,15).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide?
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 102863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).