N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide

C25H26FN3O2 — CID 101364635

IUPACN-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(CCc3cccc(F)c3)cc2)nc1
InChIInChI=1S/C25H26FN3O2/c26-21-5-3-4-20(16-21)7-6-19-8-11-23(12-9-19)31-25-13-10-22(17-27-25)28-24(30)18-29-14-1-2-15-29/h3-5,8-13,16-17H,1-2,6-7,14-15,18H2,(H,28,30)
InChIKeyPNBHGXLYAVBEHD-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.83
Rot. Bonds8

About N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide

N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 101364635) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
PubChem CID101364635
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(CCc3cccc(F)c3)cc2)nc1
InChIInChI=1S/C25H26FN3O2/c26-21-5-3-4-20(16-21)7-6-19-8-11-23(12-9-19)31-25-13-10-22(17-27-25)28-24(30)18-29-14-1-2-15-29/h3-5,8-13,16-17H,1-2,6-7,14-15,18H2,(H,28,30)
InChIKeyPNBHGXLYAVBEHD-UHFFFAOYSA-N
XLogP4.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide
CID 11189049
N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55971881
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 55714007
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
N-[6-(3-fluorophenoxy)-3-pyridinyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 84584077
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide (CID 101364635) is N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc(Oc2ccc(CCc3cccc(F)c3)cc2)nc1.
What is the InChIKey of N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is PNBHGXLYAVBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-5-3-4-20(16-21)7-6-19-8-11-23(12-9-19)31-25-13-10-22(17-27-25)28-24(30)18-29-14-1-2-15-29/h3-5,8-13,16-17H,1-2,6-7,14-15,18H2,(H,28,30).
What are the key properties of N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide?
N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 419.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 101364635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).