N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide

C21H26FN3O3 — CID 55960129

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
SMILESCC1CN(c2ccc(NC(=O)CCCOc3ccccc3F)cn2)CC(C)O1
InChIInChI=1S/C21H26FN3O3/c1-15-13-25(14-16(2)28-15)20-10-9-17(12-23-20)24-21(26)8-5-11-27-19-7-4-3-6-18(19)22/h3-4,6-7,9-10,12,15-16H,5,8,11,13-14H2,1-2H3,(H,24,26)
InChIKeyKVPWLPSJAZFTQJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.63
Rot. Bonds7

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide (PubChem CID 55960129) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
PubChem CID55960129
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
SMILESCC1CN(c2ccc(NC(=O)CCCOc3ccccc3F)cn2)CC(C)O1
InChIInChI=1S/C21H26FN3O3/c1-15-13-25(14-16(2)28-15)20-10-9-17(12-23-20)24-21(26)8-5-11-27-19-7-4-3-6-18(19)22/h3-4,6-7,9-10,12,15-16H,5,8,11,13-14H2,1-2H3,(H,24,26)
InChIKeyKVPWLPSJAZFTQJ-UHFFFAOYSA-N
XLogP3.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 51958873
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55964414
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 55786353
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
CID 98764784
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pentanamide
CID 97024201

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide (CID 55960129) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide is CC1CN(c2ccc(NC(=O)CCCOc3ccccc3F)cn2)CC(C)O1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide?
The InChIKey is KVPWLPSJAZFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15-13-25(14-16(2)28-15)20-10-9-17(12-23-20)24-21(26)8-5-11-27-19-7-4-3-6-18(19)22/h3-4,6-7,9-10,12,15-16H,5,8,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide has a molecular weight of 387.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 55960129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).