N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide

C26H35N3O4 — CID 154937093

IUPACN-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide
SMILESCc1cocc1C(=O)NC(C(=O)Nc1ccc(C2CCOCC2)nc1)C1CCCCCCC1
InChIInChI=1S/C26H35N3O4/c1-18-16-33-17-22(18)25(30)29-24(20-7-5-3-2-4-6-8-20)26(31)28-21-9-10-23(27-15-21)19-11-13-32-14-12-19/h9-10,15-17,19-20,24H,2-8,11-14H2,1H3,(H,28,31)(H,29,30)
InChIKeyTZRYJMLSNPOUKO-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.97
Rot. Bonds6

About N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide

N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide (PubChem CID 154937093) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide
PubChem CID154937093
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide
SMILESCc1cocc1C(=O)NC(C(=O)Nc1ccc(C2CCOCC2)nc1)C1CCCCCCC1
InChIInChI=1S/C26H35N3O4/c1-18-16-33-17-22(18)25(30)29-24(20-7-5-3-2-4-6-8-20)26(31)28-21-9-10-23(27-15-21)19-11-13-32-14-12-19/h9-10,15-17,19-20,24H,2-8,11-14H2,1H3,(H,28,31)(H,29,30)
InChIKeyTZRYJMLSNPOUKO-UHFFFAOYSA-N
XLogP4.97
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 162362493
N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
6-[[2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetyl]amino]spiro[2H-indole-3,4'-oxane]-1-carboxylic acid
CID 166666284
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 156779480
2-cyclooctyl-4-(3-methyl-1,2-oxazol-4-yl)-N-[4-(oxan-4-yl)phenyl]-4-oxobutanamide
CID 163904447
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
3-(aminomethyl)-N-[(1S)-1-cyclohexyl-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 163275719

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide?
The IUPAC name of N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide (CID 154937093) is N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide is Cc1cocc1C(=O)NC(C(=O)Nc1ccc(C2CCOCC2)nc1)C1CCCCCCC1.
What is the InChIKey of N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide?
The InChIKey is TZRYJMLSNPOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-18-16-33-17-22(18)25(30)29-24(20-7-5-3-2-4-6-8-20)26(31)28-21-9-10-23(27-15-21)19-11-13-32-14-12-19/h9-10,15-17,19-20,24H,2-8,11-14H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide?
N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide is sourced from PubChem (CID 154937093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).