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

C13H22N4O — CID 61424883

IUPAC2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(CCC)CCO
InChIInChI=1S/C13H22N4O/c1-4-5-17(6-7-18)13-11(12(14)15)9(2)8-10(3)16-13/h8,18H,4-7H2,1-3H3,(H3,14,15)
InChIKeyDAXDXSKJCVNGBP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.19
Rot. Bonds6

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

2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61424883) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61424883
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(CCC)CCO
InChIInChI=1S/C13H22N4O/c1-4-5-17(6-7-18)13-11(12(14)15)9(2)8-10(3)16-13/h8,18H,4-7H2,1-3H3,(H3,14,15)
InChIKeyDAXDXSKJCVNGBP-UHFFFAOYSA-N
XLogP1.19
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.19
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 2-[2-hydroxyethyl(propyl)amino]-4,6-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide (CID 61424883) is 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N(CCC)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is DAXDXSKJCVNGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-17(6-7-18)13-11(12(14)15)9(2)8-10(3)16-13/h8,18H,4-7H2,1-3H3,(H3,14,15).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61424883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).