5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine

C14H19N3O — CID 104533947

IUPAC5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C14H19N3O/c1-9-5-14(11(3)18-9)10(2)17-13-6-12(15-4)7-16-8-13/h5-8,10,15,17H,1-4H3
InChIKeyIZRUNJGMYSUTDV-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.51
Rot. Bonds4

About 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine

5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 104533947) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
PubChem CID104533947
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C14H19N3O/c1-9-5-14(11(3)18-9)10(2)17-13-6-12(15-4)7-16-8-13/h5-8,10,15,17H,1-4H3
InChIKeyIZRUNJGMYSUTDV-UHFFFAOYSA-N
XLogP3.51
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine 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

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688441
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
CID 63587506
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine (CID 104533947) is 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(NC(C)c2cc(C)oc2C)c1.
What is the InChIKey of 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is IZRUNJGMYSUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-14(11(3)18-9)10(2)17-13-6-12(15-4)7-16-8-13/h5-8,10,15,17H,1-4H3.
What are the key properties of 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine?
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 245.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104533947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).