3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride

C16H20Cl2FN3O2 — CID 119870364

IUPAC3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccc(Oc2cccc(F)c2)nc1.Cl.Cl
InChIInChI=1S/C16H18FN3O2.2ClH/c1-11(18)7-15(21)19-9-12-5-6-16(20-10-12)22-14-4-2-3-13(17)8-14;;/h2-6,8,10-11H,7,9,18H2,1H3,(H,19,21);2*1H
InChIKeyOJDJEIZWTSLPPJ-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.21
Rot. Bonds6

About 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride

3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride (PubChem CID 119870364) has the molecular formula C16H20Cl2FN3O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
PubChem CID119870364
Molecular FormulaC16H20Cl2FN3O2
Molecular Weight376.26 g/mol
Exact Mass375.09
IUPAC Name3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccc(Oc2cccc(F)c2)nc1.Cl.Cl
InChIInChI=1S/C16H18FN3O2.2ClH/c1-11(18)7-15(21)19-9-12-5-6-16(20-10-12)22-14-4-2-3-13(17)8-14;;/h2-6,8,10-11H,7,9,18H2,1H3,(H,19,21);2*1H
InChIKeyOJDJEIZWTSLPPJ-UHFFFAOYSA-N
XLogP3.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799429
3-amino-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119894131
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
N-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 51130463

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride (CID 119870364) is 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1ccc(Oc2cccc(F)c2)nc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The InChIKey is OJDJEIZWTSLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2.2ClH/c1-11(18)7-15(21)19-9-12-5-6-16(20-10-12)22-14-4-2-3-13(17)8-14;;/h2-6,8,10-11H,7,9,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride?
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride has a molecular weight of 376.26 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119870364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).