3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one

C18H21N3O — CID 95107492

IUPAC3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C18H21N3O/c22-18(9-8-15-5-2-1-3-6-15)21-12-10-17(14-21)20-16-7-4-11-19-13-16/h1-7,11,13,17,20H,8-10,12,14H2/t17-/m1/s1
InChIKeyUJACAYOJDWUKEX-QGZVFWFLSA-N
MW295.39 g/mol
LogP2.73
Rot. Bonds5

About 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one

3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 95107492) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID95107492
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1
InChIInChI=1S/C18H21N3O/c22-18(9-8-15-5-2-1-3-6-15)21-12-10-17(14-21)20-16-7-4-11-19-13-16/h1-7,11,13,17,20H,8-10,12,14H2/t17-/m1/s1
InChIKeyUJACAYOJDWUKEX-QGZVFWFLSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one (CID 95107492) is 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CC[C@@H](Nc2cccnc2)C1.
What is the InChIKey of 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UJACAYOJDWUKEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(9-8-15-5-2-1-3-6-15)21-12-10-17(14-21)20-16-7-4-11-19-13-16/h1-7,11,13,17,20H,8-10,12,14H2/t17-/m1/s1.
What are the key properties of 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95107492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).