2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

C15H17N3OS — CID 115286096

IUPAC2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1c1cccnc1)c1cccs1
InChIInChI=1S/C15H17N3OS/c16-14(13-6-3-9-20-13)15(19)18-8-2-5-12(18)11-4-1-7-17-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8,16H2
InChIKeyKQVHVHDNNTZYDU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.51
Rot. Bonds3

About 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115286096) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID115286096
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1c1cccnc1)c1cccs1
InChIInChI=1S/C15H17N3OS/c16-14(13-6-3-9-20-13)15(19)18-8-2-5-12(18)11-4-1-7-17-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8,16H2
InChIKeyKQVHVHDNNTZYDU-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone 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

2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115286722
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 143155588
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
(E)-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)but-2-enoic acid
CID 43578410
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 177166738

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (CID 115286096) is 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is NC(C(=O)N1CCCC1c1cccnc1)c1cccs1.
What is the InChIKey of 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is KQVHVHDNNTZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(13-6-3-9-20-13)15(19)18-8-2-5-12(18)11-4-1-7-17-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8,16H2.
What are the key properties of 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 287.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115286096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).