N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide

C31H35FN4O6 — CID 23559947

IUPACN-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C1OCC/C1=C/C(CC1CCNC1=O)NC(=O)C(Cc1ccc(F)cc1)n1cccc(NC(=O)C2CCCC2)c1=O
InChIInChI=1S/C31H35FN4O6/c32-23-9-7-19(8-10-23)16-26(36-14-3-6-25(30(36)40)35-28(38)20-4-1-2-5-20)29(39)34-24(17-21-11-13-33-27(21)37)18-22-12-15-42-31(22)41/h3,6-10,14,18,20-21,24,26H,1-2,4-5,11-13,15-17H2,(H,33,37)(H,34,39)(H,35,38)/b22-18-
InChIKeyKCXKBVYBNBTODU-PYCFMQQDSA-N
MW578.64 g/mol
LogP2.78
Rot. Bonds10

About N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide

N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 23559947) has the molecular formula C31H35FN4O6 and a molecular weight of 578.64 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide
PubChem CID23559947
Molecular FormulaC31H35FN4O6
Molecular Weight578.64 g/mol
Exact Mass578.25
IUPAC NameN-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C1OCC/C1=C/C(CC1CCNC1=O)NC(=O)C(Cc1ccc(F)cc1)n1cccc(NC(=O)C2CCCC2)c1=O
InChIInChI=1S/C31H35FN4O6/c32-23-9-7-19(8-10-23)16-26(36-14-3-6-25(30(36)40)35-28(38)20-4-1-2-5-20)29(39)34-24(17-21-11-13-33-27(21)37)18-22-12-15-42-31(22)41/h3,6-10,14,18,20-21,24,26H,1-2,4-5,11-13,15-17H2,(H,33,37)(H,34,39)(H,35,38)/b22-18-
InChIKeyKCXKBVYBNBTODU-PYCFMQQDSA-N
XLogP2.78
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.64
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide (CID 23559947) is N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide is O=C1OCC/C1=C/C(CC1CCNC1=O)NC(=O)C(Cc1ccc(F)cc1)n1cccc(NC(=O)C2CCCC2)c1=O.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is KCXKBVYBNBTODU-PYCFMQQDSA-N. The full InChI is InChI=1S/C31H35FN4O6/c32-23-9-7-19(8-10-23)16-26(36-14-3-6-25(30(36)40)35-28(38)20-4-1-2-5-20)29(39)34-24(17-21-11-13-33-27(21)37)18-22-12-15-42-31(22)41/h3,6-10,14,18,20-21,24,26H,1-2,4-5,11-13,15-17H2,(H,33,37)(H,34,39)(H,35,38)/b22-18-.
What are the key properties of N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide?
N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 578.64 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)-1-oxo-1-[[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 23559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).