1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone

C13H19N3O — CID 112630744

IUPAC1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(N)C1CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C13H19N3O/c1-10(14)12-4-6-16(9-12)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3
InChIKeyUHCXQFHVRQMOMB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds3

About 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 112630744) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID112630744
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(N)C1CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C13H19N3O/c1-10(14)12-4-6-16(9-12)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3
InChIKeyUHCXQFHVRQMOMB-UHFFFAOYSA-N
XLogP0.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357592
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357594
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95845191
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 112630744) is 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone is CC(N)C1CCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is UHCXQFHVRQMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(14)12-4-6-16(9-12)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 112630744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).