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

C25H32FN3O4 — CID 42482348

IUPAC3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NCc2ccccc2F)c(=O)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C25H32FN3O4/c1-33-14-13-29-16-20(24(31)27-15-18-9-7-8-12-22(18)26)23(30)21(17-29)25(32)28-19-10-5-3-2-4-6-11-19/h7-9,12,16-17,19H,2-6,10-11,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyADKSQZUJLJQWHD-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.41
Rot. Bonds8

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

3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42482348) has the molecular formula C25H32FN3O4 and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42482348
Molecular FormulaC25H32FN3O4
Molecular Weight457.55 g/mol
Exact Mass457.24
IUPAC Name3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NCc2ccccc2F)c(=O)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C25H32FN3O4/c1-33-14-13-29-16-20(24(31)27-15-18-9-7-8-12-22(18)26)23(30)21(17-29)25(32)28-19-10-5-3-2-4-6-11-19/h7-9,12,16-17,19H,2-6,10-11,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyADKSQZUJLJQWHD-UHFFFAOYSA-N
XLogP3.41
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45186510
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45177319
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
CID 4856609
1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 42238224
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
3-N-cyclooctyl-5-N-(3-methoxypropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45219359
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 28810026
5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 42499399
methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
CID 25305978

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide (CID 42482348) is 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide is COCCn1cc(C(=O)NCc2ccccc2F)c(=O)c(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is ADKSQZUJLJQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4/c1-33-14-13-29-16-20(24(31)27-15-18-9-7-8-12-22(18)26)23(30)21(17-29)25(32)28-19-10-5-3-2-4-6-11-19/h7-9,12,16-17,19H,2-6,10-11,13-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 457.55 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42482348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).