N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

C24H30N4O5 — CID 3220007

IUPACN-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NC1CCCC1)C(=O)N(Cc1cccnc1)C(C(=O)NCC1CCCO1)c1ccco1
InChIInChI=1S/C24H30N4O5/c29-22(26-15-19-9-4-12-32-19)21(20-10-5-13-33-20)28(16-17-6-3-11-25-14-17)24(31)23(30)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,21H,1-2,4,7-9,12,15-16H2,(H,26,29)(H,27,30)
InChIKeyDKGFBFUTKQSWQM-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.10
Rot. Bonds8

About N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3220007) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3220007
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NC1CCCC1)C(=O)N(Cc1cccnc1)C(C(=O)NCC1CCCO1)c1ccco1
InChIInChI=1S/C24H30N4O5/c29-22(26-15-19-9-4-12-32-19)21(20-10-5-13-33-20)28(16-17-6-3-11-25-14-17)24(31)23(30)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,21H,1-2,4,7-9,12,15-16H2,(H,26,29)(H,27,30)
InChIKeyDKGFBFUTKQSWQM-UHFFFAOYSA-N
XLogP2.10
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 3220007) is N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is O=C(NC1CCCC1)C(=O)N(Cc1cccnc1)C(C(=O)NCC1CCCO1)c1ccco1.
What is the InChIKey of N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is DKGFBFUTKQSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c29-22(26-15-19-9-4-12-32-19)21(20-10-5-13-33-20)28(16-17-6-3-11-25-14-17)24(31)23(30)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,21H,1-2,4,7-9,12,15-16H2,(H,26,29)(H,27,30).
What are the key properties of N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 454.53 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).