N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide

C21H32N4O3 — CID 71889123

IUPACN-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
SMILESCC1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)CC(C)O1
InChIInChI=1S/C21H32N4O3/c1-15-13-25(14-16(2)28-15)19-11-10-18(12-22-19)24-21(27)20(26)23-17-8-6-4-3-5-7-9-17/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUFSIUSAPQIUCOZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.86
Rot. Bonds3

About N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide

N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide (PubChem CID 71889123) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide.

Molecular Properties

Compound NameN-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
PubChem CID71889123
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
SMILESCC1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)CC(C)O1
InChIInChI=1S/C21H32N4O3/c1-15-13-25(14-16(2)28-15)19-11-10-18(12-22-19)24-21(27)20(26)23-17-8-6-4-3-5-7-9-17/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUFSIUSAPQIUCOZ-UHFFFAOYSA-N
XLogP2.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100852869
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
CID 98764784
1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
CID 94819448
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide?
The IUPAC name of N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide (CID 71889123) is N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide.
What is the SMILES notation for N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide?
The canonical SMILES for N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide is CC1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)CC(C)O1.
What is the InChIKey of N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide?
The InChIKey is UFSIUSAPQIUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15-13-25(14-16(2)28-15)19-11-10-18(12-22-19)24-21(27)20(26)23-17-8-6-4-3-5-7-9-17/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide?
N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide has a molecular weight of 388.51 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide is sourced from PubChem (CID 71889123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).