(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide

C16H18FN3O2 — CID 119847800

IUPAC(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O2/c1-2-14(18)16(21)20-10-11-3-8-15(19-9-11)22-13-6-4-12(17)5-7-13/h3-9,14H,2,10,18H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyPXVLJSKUNOGIKJ-AWEZNQCLSA-N
MW303.34 g/mol
LogP2.37
Rot. Bonds6

About (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide

(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 119847800) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID119847800
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O2/c1-2-14(18)16(21)20-10-11-3-8-15(19-9-11)22-13-6-4-12(17)5-7-13/h3-9,14H,2,10,18H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyPXVLJSKUNOGIKJ-AWEZNQCLSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
CID 119872275
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55913182
(2S)-2-amino-N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119274865
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide (CID 119847800) is (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide is CC[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is PXVLJSKUNOGIKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-14(18)16(21)20-10-11-3-8-15(19-9-11)22-13-6-4-12(17)5-7-13/h3-9,14H,2,10,18H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 303.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119847800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).