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

C16H18FN3O2 — CID 119870371

IUPAC4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-4-14(9-13)22-16-7-6-12(11-20-16)10-19-15(21)5-2-8-18/h1,3-4,6-7,9,11H,2,5,8,10,18H2,(H,19,21)
InChIKeyQSFGPKRHFYDXPT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.37
Rot. Bonds7

About 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide

4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 119870371) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID119870371
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-4-14(9-13)22-16-7-6-12(11-20-16)10-19-15(21)5-2-8-18/h1,3-4,6-7,9,11H,2,5,8,10,18H2,(H,19,21)
InChIKeyQSFGPKRHFYDXPT-UHFFFAOYSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
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
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
N-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 51130463
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
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-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide (CID 119870371) is 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide is NCCCC(=O)NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is QSFGPKRHFYDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-13-3-1-4-14(9-13)22-16-7-6-12(11-20-16)10-19-15(21)5-2-8-18/h1,3-4,6-7,9,11H,2,5,8,10,18H2,(H,19,21).
What are the key properties of 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 303.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119870371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).