3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one

C16H24N2O — CID 79067494

IUPAC3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccccn1)N1CCCC1
InChIInChI=1S/C16H24N2O/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-14-9-5-6-10-17-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyHKQIDKMQLPAVMY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds6

About 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one

3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one (PubChem CID 79067494) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one
PubChem CID79067494
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccccn1)N1CCCC1
InChIInChI=1S/C16H24N2O/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-14-9-5-6-10-17-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyHKQIDKMQLPAVMY-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
3-methyl-3-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116566539
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
CID 79060507
3-methyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068478
2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10611815
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
CID 131857449
CID 131857449
3-ethyl-N-(pyridin-2-ylmethyl)pentan-3-amine
CID 65039361
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one (CID 79067494) is 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one is CCC(CC)(C(=O)Cc1ccccn1)N1CCCC1.
What is the InChIKey of 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is HKQIDKMQLPAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-14-9-5-6-10-17-14/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one?
3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 79067494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).