[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate

C20H31N5O4 — CID 162369201

IUPAC[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](C2CC(NC(=O)Cc3ccc(OC)cn3)NN2)C1
InChIInChI=1S/C20H31N5O4/c1-3-8-21-20(27)29-15-6-4-13(9-15)17-11-18(25-24-17)23-19(26)10-14-5-7-16(28-2)12-22-14/h5,7,12-13,15,17-18,24-25H,3-4,6,8-11H2,1-2H3,(H,21,27)(H,23,26)/t13-,15+,17?,18?/m1/s1
InChIKeyAZZDAGMMAOTUCK-OSNKYIGBSA-N
MW405.50 g/mol
LogP1.25
Rot. Bonds8

About [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate

[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate (PubChem CID 162369201) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
PubChem CID162369201
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC Name[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](C2CC(NC(=O)Cc3ccc(OC)cn3)NN2)C1
InChIInChI=1S/C20H31N5O4/c1-3-8-21-20(27)29-15-6-4-13(9-15)17-11-18(25-24-17)23-19(26)10-14-5-7-16(28-2)12-22-14/h5,7,12-13,15,17-18,24-25H,3-4,6,8-11H2,1-2H3,(H,21,27)(H,23,26)/t13-,15+,17?,18?/m1/s1
InChIKeyAZZDAGMMAOTUCK-OSNKYIGBSA-N
XLogP1.25
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate (CID 162369201) is [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@H]1CC[C@@H](C2CC(NC(=O)Cc3ccc(OC)cn3)NN2)C1.
What is the InChIKey of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is AZZDAGMMAOTUCK-OSNKYIGBSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-3-8-21-20(27)29-15-6-4-13(9-15)17-11-18(25-24-17)23-19(26)10-14-5-7-16(28-2)12-22-14/h5,7,12-13,15,17-18,24-25H,3-4,6,8-11H2,1-2H3,(H,21,27)(H,23,26)/t13-,15+,17?,18?/m1/s1.
What are the key properties of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate?
[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 405.50 g/mol, XLogP of 1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 162369201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).