5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide

C28H36N4O2 — CID 24758412

IUPAC5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc(CN3CCCC34CCN(C3CCCCC3)C4=O)cc2)cn1
InChIInChI=1S/C28H36N4O2/c1-2-29-26(33)25-14-13-23(19-30-25)22-11-9-21(10-12-22)20-31-17-6-15-28(31)16-18-32(27(28)34)24-7-4-3-5-8-24/h9-14,19,24H,2-8,15-18,20H2,1H3,(H,29,33)
InChIKeyWYICFQFUTOHKAU-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.40
Rot. Bonds6

About 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide

5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide (PubChem CID 24758412) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide
PubChem CID24758412
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2ccc(CN3CCCC34CCN(C3CCCCC3)C4=O)cc2)cn1
InChIInChI=1S/C28H36N4O2/c1-2-29-26(33)25-14-13-23(19-30-25)22-11-9-21(10-12-22)20-31-17-6-15-28(31)16-18-32(27(28)34)24-7-4-3-5-8-24/h9-14,19,24H,2-8,15-18,20H2,1H3,(H,29,33)
InChIKeyWYICFQFUTOHKAU-UHFFFAOYSA-N
XLogP4.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide (CID 24758412) is 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1ccc(-c2ccc(CN3CCCC34CCN(C3CCCCC3)C4=O)cc2)cn1.
What is the InChIKey of 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide?
The InChIKey is WYICFQFUTOHKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-2-29-26(33)25-14-13-23(19-30-25)22-11-9-21(10-12-22)20-31-17-6-15-28(31)16-18-32(27(28)34)24-7-4-3-5-8-24/h9-14,19,24H,2-8,15-18,20H2,1H3,(H,29,33).
What are the key properties of 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide?
5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 24758412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).