N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine

C16H22N2O3 — CID 43688441

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)c2cc(C)oc2C)cn1
InChIInChI=1S/C16H22N2O3/c1-11-9-15(13(3)21-11)12(2)18-14-5-6-16(17-10-14)20-8-7-19-4/h5-6,9-10,12,18H,7-8H2,1-4H3
InChIKeyQZWDHEZYPOMBEI-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.49
Rot. Bonds7

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine (PubChem CID 43688441) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
PubChem CID43688441
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)c2cc(C)oc2C)cn1
InChIInChI=1S/C16H22N2O3/c1-11-9-15(13(3)21-11)12(2)18-14-5-6-16(17-10-14)20-8-7-19-4/h5-6,9-10,12,18H,7-8H2,1-4H3
InChIKeyQZWDHEZYPOMBEI-UHFFFAOYSA-N
XLogP3.49
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
6-(2-methoxyethoxy)-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43688399
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688296
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640844
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine (CID 43688441) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine is COCCOc1ccc(NC(C)c2cc(C)oc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The InChIKey is QZWDHEZYPOMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-15(13(3)21-11)12(2)18-14-5-6-16(17-10-14)20-8-7-19-4/h5-6,9-10,12,18H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine has a molecular weight of 290.36 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine is sourced from PubChem (CID 43688441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).