5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide

C20H27N3O3S — CID 55873147

IUPAC5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CC2CCCO2)C2CCSC2)CN1Cc1ccccn1
InChIInChI=1S/C20H27N3O3S/c24-19-10-15(11-22(19)12-16-4-1-2-7-21-16)20(25)23(17-6-9-27-14-17)13-18-5-3-8-26-18/h1-2,4,7,15,17-18H,3,5-6,8-14H2
InChIKeyQRVKMEYOPWQAML-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.94
Rot. Bonds6

About 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide

5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 55873147) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
PubChem CID55873147
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CC2CCCO2)C2CCSC2)CN1Cc1ccccn1
InChIInChI=1S/C20H27N3O3S/c24-19-10-15(11-22(19)12-16-4-1-2-7-21-16)20(25)23(17-6-9-27-14-17)13-18-5-3-8-26-18/h1-2,4,7,15,17-18H,3,5-6,8-14H2
InChIKeyQRVKMEYOPWQAML-UHFFFAOYSA-N
XLogP1.94
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55875470
[(2S)-oxan-2-yl]methyl (3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 97084769
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
CID 95764870
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
CID 55613299
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
(3S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51729566
(3S)-N-[(1R)-1-cyclopropylethyl]-5-oxo-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95349907
(3S)-N-(1,3-benzothiazol-2-yl)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 52895344

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide (CID 55873147) is 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(CC2CCCO2)C2CCSC2)CN1Cc1ccccn1.
What is the InChIKey of 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is QRVKMEYOPWQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c24-19-10-15(11-22(19)12-16-4-1-2-7-21-16)20(25)23(17-6-9-27-14-17)13-18-5-3-8-26-18/h1-2,4,7,15,17-18H,3,5-6,8-14H2.
What are the key properties of 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55873147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).