5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

C24H33N3O4S — CID 42471037

IUPAC5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C24H33N3O4S/c1-26(15-19-11-8-14-32-19)24(30)21-17-27(12-13-31-2)16-20(22(21)28)23(29)25-18-9-6-4-3-5-7-10-18/h8,11,14,16-18H,3-7,9-10,12-13,15H2,1-2H3,(H,25,29)
InChIKeyBQMRUZJKGHMYOW-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.67
Rot. Bonds8

About 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 42471037) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID42471037
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C24H33N3O4S/c1-26(15-19-11-8-14-32-19)24(30)21-17-27(12-13-31-2)16-20(22(21)28)23(29)25-18-9-6-4-3-5-7-10-18/h8,11,14,16-18H,3-7,9-10,12-13,15H2,1-2H3,(H,25,29)
InChIKeyBQMRUZJKGHMYOW-UHFFFAOYSA-N
XLogP3.67
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
5-N-cyclohexyl-1-cyclopropyl-3-N-methyl-4-oxo-3-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 42421580
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45177319
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 28810026
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
3-N-cyclooctyl-5-N-(3-methoxypropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45219359
N-cyclohexyl-4-hydroxy-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 67104862
5-N-cyclooctyl-3-N-methyl-4-oxo-1-(oxolan-2-ylmethyl)-3-N-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45216743

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 42471037) is 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N(C)Cc2cccs2)c1.
What is the InChIKey of 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is BQMRUZJKGHMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-26(15-19-11-8-14-32-19)24(30)21-17-27(12-13-31-2)16-20(22(21)28)23(29)25-18-9-6-4-3-5-7-10-18/h8,11,14,16-18H,3-7,9-10,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 459.61 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).