2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone

C17H19N3O — CID 173109865

IUPAC2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccccc1-c1cccnc1
InChIInChI=1S/C17H19N3O/c18-16(17(21)20-10-3-4-11-20)15-8-2-1-7-14(15)13-6-5-9-19-12-13/h1-2,5-9,12,16H,3-4,10-11,18H2
InChIKeyKTGYVSZZAJMKSC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone

2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 173109865) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID173109865
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccccc1-c1cccnc1
InChIInChI=1S/C17H19N3O/c18-16(17(21)20-10-3-4-11-20)15-8-2-1-7-14(15)13-6-5-9-19-12-13/h1-2,5-9,12,16H,3-4,10-11,18H2
InChIKeyKTGYVSZZAJMKSC-UHFFFAOYSA-N
XLogP2.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-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

(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
CID 66512915
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
CID 173109803
N-piperidin-1-yl-2-pyridin-3-ylbenzamide
CID 173109627
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
2-amino-2-(2-chlorophenyl)-1-piperazin-1-ylethanone
CID 82511893
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone (CID 173109865) is 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone is NC(C(=O)N1CCCC1)c1ccccc1-c1cccnc1.
What is the InChIKey of 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is KTGYVSZZAJMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-16(17(21)20-10-3-4-11-20)15-8-2-1-7-14(15)13-6-5-9-19-12-13/h1-2,5-9,12,16H,3-4,10-11,18H2.
What are the key properties of 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 173109865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).