2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C19H24Cl2FN3O3 — CID 120799429

IUPAC2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1
InChIInChI=1S/C19H22FN3O3.2ClH/c20-15-2-1-3-16(10-15)26-17-5-4-13(11-22-17)12-23-19(24)18(21)14-6-8-25-9-7-14;;/h1-5,10-11,14,18H,6-9,12,21H2,(H,23,24);2*1H
InChIKeyVJJUSSCCBISRIH-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.23
Rot. Bonds6

About 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799429) has the molecular formula C19H24Cl2FN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120799429
Molecular FormulaC19H24Cl2FN3O3
Molecular Weight432.32 g/mol
Exact Mass431.12
IUPAC Name2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1
InChIInChI=1S/C19H22FN3O3.2ClH/c20-15-2-1-3-16(10-15)26-17-5-4-13(11-22-17)12-23-19(24)18(21)14-6-8-25-9-7-14;;/h1-5,10-11,14,18H,6-9,12,21H2,(H,23,24);2*1H
InChIKeyVJJUSSCCBISRIH-UHFFFAOYSA-N
XLogP3.23
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799429) is 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is VJJUSSCCBISRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3.2ClH/c20-15-2-1-3-16(10-15)26-17-5-4-13(11-22-17)12-23-19(24)18(21)14-6-8-25-9-7-14;;/h1-5,10-11,14,18H,6-9,12,21H2,(H,23,24);2*1H.
What are the key properties of 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 432.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).