N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide

C17H20FN3O3 — CID 119847870

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FN3O3/c1-23-9-8-19-12-16(22)21-11-13-4-3-7-20-17(13)24-15-6-2-5-14(18)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyYUWVSYOAALLAOM-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.87
Rot. Bonds9

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119847870) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119847870
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FN3O3/c1-23-9-8-19-12-16(22)21-11-13-4-3-7-20-17(13)24-15-6-2-5-14(18)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyYUWVSYOAALLAOM-UHFFFAOYSA-N
XLogP1.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
2-[(4-chlorophenyl)methylsulfanyl]-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55692937
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
(E)-4-(dimethylamino)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]but-2-enamide
CID 146100901
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
2-(2-chloro-4-fluorophenyl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide
CID 56755065
methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60512388
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide (CID 119847870) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is YUWVSYOAALLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-9-8-19-12-16(22)21-11-13-4-3-7-20-17(13)24-15-6-2-5-14(18)10-15/h2-7,10,19H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119847870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).