1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine

C18H25N3O — CID 119040414

IUPAC1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2ccnc(N3CCCC3)c2)oc1C
InChIInChI=1S/C18H25N3O/c1-13-10-17(22-15(13)3)14(2)20-12-16-6-7-19-18(11-16)21-8-4-5-9-21/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3
InChIKeyVTOLEMDHVGYKAG-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.74
Rot. Bonds5

About 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine

1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine (PubChem CID 119040414) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
PubChem CID119040414
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2ccnc(N3CCCC3)c2)oc1C
InChIInChI=1S/C18H25N3O/c1-13-10-17(22-15(13)3)14(2)20-12-16-6-7-19-18(11-16)21-8-4-5-9-21/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3
InChIKeyVTOLEMDHVGYKAG-UHFFFAOYSA-N
XLogP3.74
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine 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

(1S)-1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 100737963
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 131963182
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111760424
N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine (CID 119040414) is 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine is Cc1cc(C(C)NCc2ccnc(N3CCCC3)c2)oc1C.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
The InChIKey is VTOLEMDHVGYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-10-17(22-15(13)3)14(2)20-12-16-6-7-19-18(11-16)21-8-4-5-9-21/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine?
1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 119040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).