3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide

C10H16N4O — CID 62894381

IUPAC3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCO
InChIInChI=1S/C10H16N4O/c1-14(5-6-15)7-8-3-2-4-13-9(8)10(11)12/h2-4,15H,5-7H2,1H3,(H3,11,12)
InChIKeyVWPVKHMDJVRNJI-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.21
Rot. Bonds5

About 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide

3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 62894381) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID62894381
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCO
InChIInChI=1S/C10H16N4O/c1-14(5-6-15)7-8-3-2-4-13-9(8)10(11)12/h2-4,15H,5-7H2,1H3,(H3,11,12)
InChIKeyVWPVKHMDJVRNJI-UHFFFAOYSA-N
XLogP-0.21
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.21
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

3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 62894279
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboximidamide
CID 62894556
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
CID 64585399

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide (CID 62894381) is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)CCO.
What is the InChIKey of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is VWPVKHMDJVRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(5-6-15)7-8-3-2-4-13-9(8)10(11)12/h2-4,15H,5-7H2,1H3,(H3,11,12).
What are the key properties of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide?
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 208.26 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).