4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide

C12H20N4O — CID 79386836

IUPAC4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(CC)CC(C)(C)O)ccn1
InChIInChI=1S/C12H20N4O/c1-4-16(8-12(2,3)17)9-5-6-15-10(7-9)11(13)14/h5-7,17H,4,8H2,1-3H3,(H3,13,14)
InChIKeyOOQMJDWAEJJZLV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds5

About 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide

4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide (PubChem CID 79386836) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
PubChem CID79386836
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(CC)CC(C)(C)O)ccn1
InChIInChI=1S/C12H20N4O/c1-4-16(8-12(2,3)17)9-5-6-15-10(7-9)11(13)14/h5-7,17H,4,8H2,1-3H3,(H3,13,14)
InChIKeyOOQMJDWAEJJZLV-UHFFFAOYSA-N
XLogP0.96
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
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-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
CID 54993134
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875010
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide (CID 79386836) is 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N(CC)CC(C)(C)O)ccn1.
What is the InChIKey of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide?
The InChIKey is OOQMJDWAEJJZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(8-12(2,3)17)9-5-6-15-10(7-9)11(13)14/h5-7,17H,4,8H2,1-3H3,(H3,13,14).
What are the key properties of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide?
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide has a molecular weight of 236.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 79386836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).