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

C16H18FN3O3 — CID 120595374

IUPAC4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O3/c1-22-14(9-18)8-15(21)20-12-4-7-16(19-10-12)23-13-5-2-11(17)3-6-13/h2-7,10,14H,8-9,18H2,1H3,(H,20,21)
InChIKeyDOSRTTQSEGVPOB-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.32
Rot. Bonds7

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

4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide (PubChem CID 120595374) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
PubChem CID120595374
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O3/c1-22-14(9-18)8-15(21)20-12-4-7-16(19-10-12)23-13-5-2-11(17)3-6-13/h2-7,10,14H,8-9,18H2,1H3,(H,20,21)
InChIKeyDOSRTTQSEGVPOB-UHFFFAOYSA-N
XLogP2.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
CID 42691212
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
CID 120593856
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide (CID 120595374) is 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide?
The InChIKey is DOSRTTQSEGVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-22-14(9-18)8-15(21)20-12-4-7-16(19-10-12)23-13-5-2-11(17)3-6-13/h2-7,10,14H,8-9,18H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide?
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide has a molecular weight of 319.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide is sourced from PubChem (CID 120595374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).