2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

C16H23N3O — CID 95107482

IUPAC2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c20-16(10-13-4-1-2-5-13)19-9-7-15(12-19)18-14-6-3-8-17-11-14/h3,6,8,11,13,15,18H,1-2,4-5,7,9-10,12H2/t15-/m0/s1
InChIKeyDYVQHWOYPKNMCN-HNNXBMFYSA-N
MW273.38 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 95107482) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID95107482
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC[C@H](Nc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c20-16(10-13-4-1-2-5-13)19-9-7-15(12-19)18-14-6-3-8-17-11-14/h3,6,8,11,13,15,18H,1-2,4-5,7,9-10,12H2/t15-/m0/s1
InChIKeyDYVQHWOYPKNMCN-HNNXBMFYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (CID 95107482) is 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CC[C@H](Nc2cccnc2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is DYVQHWOYPKNMCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(10-13-4-1-2-5-13)19-9-7-15(12-19)18-14-6-3-8-17-11-14/h3,6,8,11,13,15,18H,1-2,4-5,7,9-10,12H2/t15-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95107482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).