2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone

C13H19N3O — CID 81404885

IUPAC2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-5-4-6-14-9-12)15-10-13(17)16-7-2-3-8-16/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t11-/m1/s1
InChIKeyPPQOKGLEIMKABY-LLVKDONJSA-N
MW233.32 g/mol
LogP1.35
Rot. Bonds4

About 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone

2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 81404885) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID81404885
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-5-4-6-14-9-12)15-10-13(17)16-7-2-3-8-16/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t11-/m1/s1
InChIKeyPPQOKGLEIMKABY-LLVKDONJSA-N
XLogP1.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404782
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone (CID 81404885) is 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone is C[C@@H](NCC(=O)N1CCCC1)c1cccnc1.
What is the InChIKey of 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is PPQOKGLEIMKABY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(12-5-4-6-14-9-12)15-10-13(17)16-7-2-3-8-16/h4-6,9,11,15H,2-3,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 233.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 81404885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).