1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide

C26H34N4O2S — CID 59999066

IUPAC1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2cccnc2)C3=O)c2cccs2)CC1
InChIInChI=1S/C26H34N4O2S/c1-25(7-8-25)23(31)28-21(22-5-3-17-33-22)6-13-29-14-9-26(10-15-29)11-16-30(24(26)32)19-20-4-2-12-27-18-20/h2-5,12,17-18,21H,6-11,13-16,19H2,1H3,(H,28,31)
InChIKeyYFPGTIMRJFRHED-UHFFFAOYSA-N
MW466.65 g/mol
LogP4.01
Rot. Bonds8

About 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide

1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide (PubChem CID 59999066) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide
PubChem CID59999066
Molecular FormulaC26H34N4O2S
Molecular Weight466.65 g/mol
Exact Mass466.24
IUPAC Name1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2cccnc2)C3=O)c2cccs2)CC1
InChIInChI=1S/C26H34N4O2S/c1-25(7-8-25)23(31)28-21(22-5-3-17-33-22)6-13-29-14-9-26(10-15-29)11-16-30(24(26)32)19-20-4-2-12-27-18-20/h2-5,12,17-18,21H,6-11,13-16,19H2,1H3,(H,28,31)
InChIKeyYFPGTIMRJFRHED-UHFFFAOYSA-N
XLogP4.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide (CID 59999066) is 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide is CC1(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2cccnc2)C3=O)c2cccs2)CC1.
What is the InChIKey of 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide?
The InChIKey is YFPGTIMRJFRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2S/c1-25(7-8-25)23(31)28-21(22-5-3-17-33-22)6-13-29-14-9-26(10-15-29)11-16-30(24(26)32)19-20-4-2-12-27-18-20/h2-5,12,17-18,21H,6-11,13-16,19H2,1H3,(H,28,31).
What are the key properties of 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide?
1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide has a molecular weight of 466.65 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59999066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).