4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

C12H20N4O — CID 81053977

IUPAC4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCO)cc(C)nc1C
InChIInChI=1S/C12H20N4O/c1-4-16(5-6-17)10-7-8(2)15-9(3)11(10)12(13)14/h7,17H,4-6H2,1-3H3,(H3,13,14)
InChIKeyGAEMBAPEZCBXRG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds5

About 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81053977) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81053977
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCO)cc(C)nc1C
InChIInChI=1S/C12H20N4O/c1-4-16(5-6-17)10-7-8(2)15-9(3)11(10)12(13)14/h7,17H,4-6H2,1-3H3,(H3,13,14)
InChIKeyGAEMBAPEZCBXRG-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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'}

Analyze 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 61424883
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052236
4-(3-hydroxypropylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052310
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 102993405
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054890
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (CID 81053977) is 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(CC)CCO)cc(C)nc1C.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is GAEMBAPEZCBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(5-6-17)10-7-8(2)15-9(3)11(10)12(13)14/h7,17H,4-6H2,1-3H3,(H3,13,14).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81053977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).