3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide

C16H20N4 — CID 62895735

IUPAC3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)c1ccccc1C
InChIInChI=1S/C16H20N4/c1-3-20(14-9-5-4-7-12(14)2)11-13-8-6-10-19-15(13)16(17)18/h4-10H,3,11H2,1-2H3,(H3,17,18)
InChIKeyJGUIFOBTAORNFM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds5

About 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide

3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide (PubChem CID 62895735) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
PubChem CID62895735
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)c1ccccc1C
InChIInChI=1S/C16H20N4/c1-3-20(14-9-5-4-7-12(14)2)11-13-8-6-10-19-15(13)16(17)18/h4-10H,3,11H2,1-2H3,(H3,17,18)
InChIKeyJGUIFOBTAORNFM-UHFFFAOYSA-N
XLogP2.70
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
CID 64585399
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboximidamide
CID 62894556
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
CID 62894396

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide (CID 62895735) is 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(CC)c1ccccc1C.
What is the InChIKey of 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide?
The InChIKey is JGUIFOBTAORNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-20(14-9-5-4-7-12(14)2)11-13-8-6-10-19-15(13)16(17)18/h4-10H,3,11H2,1-2H3,(H3,17,18).
What are the key properties of 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide?
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide has a molecular weight of 268.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).