(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

C17H23N3O — CID 97108049

IUPAC(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1
InChIInChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJYVHESVGMNIEM-KBPBESRZSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds5

About (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 97108049) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID97108049
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1
InChIInChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJYVHESVGMNIEM-KBPBESRZSA-N
XLogP3.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine 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

(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75441632
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75471469
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
CID 75499739
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (CID 97108049) is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is CCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1.
What is the InChIKey of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is WJYVHESVGMNIEM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).