N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

C16H20Cl2FN3O3 — CID 119849115

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.Cl.Cl
InChIInChI=1S/C16H18FN3O3.2ClH/c1-22-9-8-18-11-15(21)20-13-4-7-16(19-10-13)23-14-5-2-12(17)3-6-14;;/h2-7,10,18H,8-9,11H2,1H3,(H,20,21);2*1H
InChIKeyYINKVGMKSNPOMB-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.03
Rot. Bonds8

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119849115) has the molecular formula C16H20Cl2FN3O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119849115
Molecular FormulaC16H20Cl2FN3O3
Molecular Weight392.26 g/mol
Exact Mass391.09
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.Cl.Cl
InChIInChI=1S/C16H18FN3O3.2ClH/c1-22-9-8-18-11-15(21)20-13-4-7-16(19-10-13)23-14-5-2-12(17)3-6-14;;/h2-7,10,18H,8-9,11H2,1H3,(H,20,21);2*1H
InChIKeyYINKVGMKSNPOMB-UHFFFAOYSA-N
XLogP3.03
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.03
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-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340978
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55713823
N-(6-anilino-3-pyridinyl)-2-(2-methoxyethylamino)acetamide
CID 119870649
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119849115) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.Cl.Cl.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is YINKVGMKSNPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3.2ClH/c1-22-9-8-18-11-15(21)20-13-4-7-16(19-10-13)23-14-5-2-12(17)3-6-14;;/h2-7,10,18H,8-9,11H2,1H3,(H,20,21);2*1H.
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 392.26 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).