N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C26H28FN3O2 — CID 124986856

IUPACN-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)ccn1
InChIInChI=1S/C26H28FN3O2/c1-19(31)29-16-24-15-21(11-12-28-24)25-9-5-13-30(25)17-22-7-2-3-10-26(22)32-18-20-6-4-8-23(27)14-20/h2-4,6-8,10-12,14-15,25H,5,9,13,16-18H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyOBPFTBDZWWCVPL-VWLOTQADSA-N
MW433.53 g/mol
LogP4.77
Rot. Bonds8

About N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124986856) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124986856
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)ccn1
InChIInChI=1S/C26H28FN3O2/c1-19(31)29-16-24-15-21(11-12-28-24)25-9-5-13-30(25)17-22-7-2-3-10-26(22)32-18-20-6-4-8-23(27)14-20/h2-4,6-8,10-12,14-15,25H,5,9,13,16-18H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyOBPFTBDZWWCVPL-VWLOTQADSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095760
N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
N-[[4-[(2S)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986875
N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124999499
N-[[4-[(2R)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124999498
N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124980798
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
N-[[4-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124965035
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107831

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124986856) is N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)ccn1.
What is the InChIKey of N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is OBPFTBDZWWCVPL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-19(31)29-16-24-15-21(11-12-28-24)25-9-5-13-30(25)17-22-7-2-3-10-26(22)32-18-20-6-4-8-23(27)14-20/h2-4,6-8,10-12,14-15,25H,5,9,13,16-18H2,1H3,(H,29,31)/t25-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124986856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).