3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide

C26H34ClN3O4 — CID 45177319

IUPAC3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C26H34ClN3O4/c1-18(20-12-8-9-13-23(20)27)28-25(32)21-16-30(14-15-34-2)17-22(24(21)31)26(33)29-19-10-6-4-3-5-7-11-19/h8-9,12-13,16-19H,3-7,10-11,14-15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyPHSABDIEIUCWCV-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.48
Rot. Bonds8

About 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide

3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45177319) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45177319
Molecular FormulaC26H34ClN3O4
Molecular Weight488.03 g/mol
Exact Mass487.22
IUPAC Name3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C26H34ClN3O4/c1-18(20-12-8-9-13-23(20)27)28-25(32)21-16-30(14-15-34-2)17-22(24(21)31)26(33)29-19-10-6-4-3-5-7-11-19/h8-9,12-13,16-19H,3-7,10-11,14-15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyPHSABDIEIUCWCV-UHFFFAOYSA-N
XLogP4.48
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide with MolForge

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Related Compounds

3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 26332016
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42471037
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
2-chloro-N-cyclopentylbenzamide
CID 669043

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide (CID 45177319) is 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide is COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)NC(C)c2ccccc2Cl)c1.
What is the InChIKey of 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is PHSABDIEIUCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O4/c1-18(20-12-8-9-13-23(20)27)28-25(32)21-16-30(14-15-34-2)17-22(24(21)31)26(33)29-19-10-6-4-3-5-7-11-19/h8-9,12-13,16-19H,3-7,10-11,14-15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 488.03 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45177319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).