3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide

C13H16N4S — CID 62893526

IUPAC3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1ccsc1
InChIInChI=1S/C13H16N4S/c1-17(7-10-4-6-18-9-10)8-11-3-2-5-16-12(11)13(14)15/h2-6,9H,7-8H2,1H3,(H3,14,15)
InChIKeyBDGCPFBMVVESPO-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.06
Rot. Bonds5

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

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 62893526) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID62893526
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1ccsc1
InChIInChI=1S/C13H16N4S/c1-17(7-10-4-6-18-9-10)8-11-3-2-5-16-12(11)13(14)15/h2-6,9H,7-8H2,1H3,(H3,14,15)
InChIKeyBDGCPFBMVVESPO-UHFFFAOYSA-N
XLogP2.06
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893438
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63069142
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide (CID 62893526) is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)Cc1ccsc1.
What is the InChIKey of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is BDGCPFBMVVESPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-17(7-10-4-6-18-9-10)8-11-3-2-5-16-12(11)13(14)15/h2-6,9H,7-8H2,1H3,(H3,14,15).
What are the key properties of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 260.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).